N-(3-chlorophenyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide

C23H23ClN2OS — CID 134801147

IUPACN-(3-chlorophenyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCCCN1Cc1ccc(-c2cccs2)cc1
InChIInChI=1S/C23H23ClN2OS/c24-19-5-3-6-20(15-19)25-23(27)21-7-1-2-13-26(21)16-17-9-11-18(12-10-17)22-8-4-14-28-22/h3-6,8-12,14-15,21H,1-2,7,13,16H2,(H,25,27)
InChIKeyRQUZEPDSTIZRIM-UHFFFAOYSA-N
MW410.97 g/mol
LogP6.06
Rot. Bonds5

About N-(3-chlorophenyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide

N-(3-chlorophenyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 134801147) has the molecular formula C23H23ClN2OS and a molecular weight of 410.97 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
PubChem CID134801147
Molecular FormulaC23H23ClN2OS
Molecular Weight410.97 g/mol
Exact Mass410.12
IUPAC NameN-(3-chlorophenyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCCCN1Cc1ccc(-c2cccs2)cc1
InChIInChI=1S/C23H23ClN2OS/c24-19-5-3-6-20(15-19)25-23(27)21-7-1-2-13-26(21)16-17-9-11-18(12-10-17)22-8-4-14-28-22/h3-6,8-12,14-15,21H,1-2,7,13,16H2,(H,25,27)
InChIKeyRQUZEPDSTIZRIM-UHFFFAOYSA-N
XLogP6.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.97
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide (CID 134801147) is N-(3-chlorophenyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide is O=C(Nc1cccc(Cl)c1)C1CCCCN1Cc1ccc(-c2cccs2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is RQUZEPDSTIZRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2OS/c24-19-5-3-6-20(15-19)25-23(27)21-7-1-2-13-26(21)16-17-9-11-18(12-10-17)22-8-4-14-28-22/h3-6,8-12,14-15,21H,1-2,7,13,16H2,(H,25,27).
What are the key properties of N-(3-chlorophenyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
N-(3-chlorophenyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 410.97 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 134801147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).