(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide

C16H22N4O2S — CID 95284024

IUPAC(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide
SMILESCc1noc([C@H]2CCCN(C(=O)N[C@H](C)Cc3ccsc3)C2)n1
InChIInChI=1S/C16H22N4O2S/c1-11(8-13-5-7-23-10-13)17-16(21)20-6-3-4-14(9-20)15-18-12(2)19-22-15/h5,7,10-11,14H,3-4,6,8-9H2,1-2H3,(H,17,21)/t11-,14+/m1/s1
InChIKeyBUJSKVSZNQBTEK-RISCZKNCSA-N
MW334.45 g/mol
LogP2.96
Rot. Bonds4

About (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide

(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide (PubChem CID 95284024) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide
PubChem CID95284024
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide
SMILESCc1noc([C@H]2CCCN(C(=O)N[C@H](C)Cc3ccsc3)C2)n1
InChIInChI=1S/C16H22N4O2S/c1-11(8-13-5-7-23-10-13)17-16(21)20-6-3-4-14(9-20)15-18-12(2)19-22-15/h5,7,10-11,14H,3-4,6,8-9H2,1-2H3,(H,17,21)/t11-,14+/m1/s1
InChIKeyBUJSKVSZNQBTEK-RISCZKNCSA-N
XLogP2.96
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide
CID 52515078
(3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 97003531
N-(1-thiophen-3-ylpropan-2-yl)morpholine-4-carboxamide
CID 115589977
(3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 124744324
N-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 136578753
3-(3-fluorophenyl)-2-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 48861491
N-[[dimethyl(phenyl)silyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 119038571
(3S)-N-[(4-cyanophenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 94801015
methyl N-[(2R)-4-methyl-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 95153308
[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95824398
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 51120866

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide (CID 95284024) is (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide is Cc1noc([C@H]2CCCN(C(=O)N[C@H](C)Cc3ccsc3)C2)n1.
What is the InChIKey of (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide?
The InChIKey is BUJSKVSZNQBTEK-RISCZKNCSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-11(8-13-5-7-23-10-13)17-16(21)20-6-3-4-14(9-20)15-18-12(2)19-22-15/h5,7,10-11,14H,3-4,6,8-9H2,1-2H3,(H,17,21)/t11-,14+/m1/s1.
What are the key properties of (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide?
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 95284024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).