(3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C17H24N4O2S — CID 97003531

IUPAC(3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1noc([C@H]2CCCN(C(=O)N[C@@H](C)c3cc(C)sc3C)C2)n1
InChIInChI=1S/C17H24N4O2S/c1-10-8-15(12(3)24-10)11(2)18-17(22)21-7-5-6-14(9-21)16-19-13(4)20-23-16/h8,11,14H,5-7,9H2,1-4H3,(H,18,22)/t11-,14-/m0/s1
InChIKeyIIQMUNHRUORMAY-FZMZJTMJSA-N
MW348.47 g/mol
LogP3.71
Rot. Bonds3

About (3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

(3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 97003531) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID97003531
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name(3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1noc([C@H]2CCCN(C(=O)N[C@@H](C)c3cc(C)sc3C)C2)n1
InChIInChI=1S/C17H24N4O2S/c1-10-8-15(12(3)24-10)11(2)18-17(22)21-7-5-6-14(9-21)16-19-13(4)20-23-16/h8,11,14H,5-7,9H2,1-4H3,(H,18,22)/t11-,14-/m0/s1
InChIKeyIIQMUNHRUORMAY-FZMZJTMJSA-N
XLogP3.71
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
(3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 124744324
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide
CID 95284024
(2S)-2-amino-3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119112368
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide
CID 52515078
(2,5-dichlorothiophen-3-yl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94526769
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 47388339
[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 95578533
(2R)-1-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922641
N-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 97314416
[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94208001
(5-bromo-3-pyridinyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51120868

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 97003531) is (3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is Cc1noc([C@H]2CCCN(C(=O)N[C@@H](C)c3cc(C)sc3C)C2)n1.
What is the InChIKey of (3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is IIQMUNHRUORMAY-FZMZJTMJSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-10-8-15(12(3)24-10)11(2)18-17(22)21-7-5-6-14(9-21)16-19-13(4)20-23-16/h8,11,14H,5-7,9H2,1-4H3,(H,18,22)/t11-,14-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
(3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97003531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).