N-(2,5-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C19H22N2O2S — CID 778148

IUPACN-(2,5-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C19H22N2O2S/c1-13-5-6-14(2)16(12-13)20-18(22)15-7-9-21(10-8-15)19(23)17-4-3-11-24-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,20,22)
InChIKeyFHZZHGLSDGDEDK-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.86
Rot. Bonds3

About N-(2,5-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(2,5-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 778148) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID778148
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-(2,5-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C19H22N2O2S/c1-13-5-6-14(2)16(12-13)20-18(22)15-7-9-21(10-8-15)19(23)17-4-3-11-24-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,20,22)
InChIKeyFHZZHGLSDGDEDK-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 778148) is N-(2,5-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is Cc1ccc(C)c(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is FHZZHGLSDGDEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13-5-6-14(2)16(12-13)20-18(22)15-7-9-21(10-8-15)19(23)17-4-3-11-24-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,20,22).
What are the key properties of N-(2,5-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(2,5-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-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 N-(2,5-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 778148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).