Responsive image

Common name

(2S)-1-propylpiperidine-2-carboxamide

IUPAC name

(2S)-1-propylpiperidine-2-carboxamide

SMILES

C(C)CN1C(CCCC1)C(=O)N

Common name

(2S)-1-propylpiperidine-2-carboxamide

IUPAC name

(2S)-1-propylpiperidine-2-carboxamide

SMILES

C(C)CN1C(CCCC1)C(=O)N

INCHI

InChI=1S/C9H18N2O/c1-2-6-11-7-4-3-5-8(11)9(10)12/h8H,2-7H2,1H3,(H2,10,12)/t8-/m0/s1

FORMULA

C9H18N2O

Responsive image

Common name

(2S)-1-propylpiperidine-2-carboxamide

IUPAC name

(2S)-1-propylpiperidine-2-carboxamide





Molecular weight

170.252

clogP

0.730

clogS

-1.155

Frequency

0.0003





HBond Acceptor

2

HBond Donor

2

Total Polar
Surface Area

46.33

Number of Rings

1

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00183 Ropivacaine Responsive image Anesthetics, Local; Anesthetics; Nervous System; Amides; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Used in obstetric anesthesia and regional anesthesia for surgery.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
1b6l_ligand_2_15.mol2 1b6l 0.972222 -6.19 C(=O)(N)[C@H]1[N@@H+](CCCC1)C 10
1idb_ligand_2_46.mol2 1idb 0.972222 -6.08 C[N@H+]1[C@@H](CCCC1)C(=O)N 10
1ida_ligand_2_64.mol2 1ida 0.972222 -6.02 C(=O)(N)[C@H]1[N@@H+](CCCC1)C 10
3cyx_ligand_2_75.mol2 3cyx 0.947368 -7.04 C[N@H+]1[C@@H](C[C@@H]2CCCC[C@@H]2C1)C(=O)N 14
3ekq_ligand_2_75.mol2 3ekq 0.947368 -7.02 C(=O)(N)[C@H]1[N@@H+](C[C@@H]2[C@H](C1)CCCC2)C 14
4qgi_ligand_2_63.mol2 4qgi 0.947368 -7.02 [N@@H+]1([C@@H](C[C@@H]2CCCC[C@@H]2C1)C(=O)N)C 14
2pyn_ligand_2_0.mol2 2pyn 0.947368 -7.00 C[N@H+]1[C@H](C(=O)N)C[C@H]2[C@H](CCCC2)C1 14
3ekx_ligand_2_0.mol2 3ekx 0.947368 -7.00 C(=O)(N)[C@@H]1C[C@H]2[C@H](CCCC2)C[N@H+]1C 14
102 , 11