(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C19H22N2O2S — CID 95160432

IUPAC(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c(C)c1
InChIInChI=1S/C19H22N2O2S/c1-13-7-8-16(14(2)11-13)20-18(22)15-5-3-9-21(12-15)19(23)17-6-4-10-24-17/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyVVKHNVZZCZSGOC-HNNXBMFYSA-N
MW342.46 g/mol
LogP3.86
Rot. Bonds3

About (3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 95160432) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is (3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID95160432
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c(C)c1
InChIInChI=1S/C19H22N2O2S/c1-13-7-8-16(14(2)11-13)20-18(22)15-5-3-9-21(12-15)19(23)17-6-4-10-24-17/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyVVKHNVZZCZSGOC-HNNXBMFYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062205
N-(2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558789
N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558530
N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559011
N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 50803874
N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46461736
1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 55631455
N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55672694
N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557481
N-(2-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511075
N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615
N-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804308

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 95160432) is (3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c(C)c1.
What is the InChIKey of (3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is VVKHNVZZCZSGOC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13-7-8-16(14(2)11-13)20-18(22)15-5-3-9-21(12-15)19(23)17-6-4-10-24-17/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 95160432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).