1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide

C16H24N2O2S — CID 91953868

IUPAC1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCc1scc(C(=O)N2CCCC(C(=O)NC(C)C)C2)c1C
InChIInChI=1S/C16H24N2O2S/c1-10(2)17-15(19)13-6-5-7-18(8-13)16(20)14-9-21-12(4)11(14)3/h9-10,13H,5-8H2,1-4H3,(H,17,19)
InChIKeyNESMIVIZVIEOHM-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.74
Rot. Bonds3

About 1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide

1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 91953868) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID91953868
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCc1scc(C(=O)N2CCCC(C(=O)NC(C)C)C2)c1C
InChIInChI=1S/C16H24N2O2S/c1-10(2)17-15(19)13-6-5-7-18(8-13)16(20)14-9-21-12(4)11(14)3/h9-10,13H,5-8H2,1-4H3,(H,17,19)
InChIKeyNESMIVIZVIEOHM-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 91953871
N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 91953841
1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 91953801
(3R)-N-[(2R)-butan-2-yl]-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
CID 815151
methyl 2,4-dimethyl-5-[3-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 53067424
(4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947084
1-(5-chloro-3,6-dimethyl-1-benzofuran-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 91953815
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 119763251
1-(3,5-dimethylbenzoyl)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 46488810
propan-2-yl 2,4-dimethyl-5-[(3S)-3-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 93065634
(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367783
(3S)-1-N-[4-[(4-methylphenyl)carbamoylamino]phenyl]-3-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 95116232

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide (CID 91953868) is 1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide is Cc1scc(C(=O)N2CCCC(C(=O)NC(C)C)C2)c1C.
What is the InChIKey of 1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is NESMIVIZVIEOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-10(2)17-15(19)13-6-5-7-18(8-13)16(20)14-9-21-12(4)11(14)3/h9-10,13H,5-8H2,1-4H3,(H,17,19).
What are the key properties of 1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide?
1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 91953868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).