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

C23H23ClN2OS — CID 134802760

IUPACN-(2-chlorophenyl)-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CCCN(Cc2cccc(-c3cccs3)c2)C1
InChIInChI=1S/C23H23ClN2OS/c24-20-9-1-2-10-21(20)25-23(27)19-8-4-12-26(16-19)15-17-6-3-7-18(14-17)22-11-5-13-28-22/h1-3,5-7,9-11,13-14,19H,4,8,12,15-16H2,(H,25,27)
InChIKeyFHVYRUWZWCDZAN-UHFFFAOYSA-N
MW410.97 g/mol
LogP5.92
Rot. Bonds5

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

N-(2-chlorophenyl)-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 134802760) has the molecular formula C23H23ClN2OS and a molecular weight of 410.97 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID134802760
Molecular FormulaC23H23ClN2OS
Molecular Weight410.97 g/mol
Exact Mass410.12
IUPAC NameN-(2-chlorophenyl)-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CCCN(Cc2cccc(-c3cccs3)c2)C1
InChIInChI=1S/C23H23ClN2OS/c24-20-9-1-2-10-21(20)25-23(27)19-8-4-12-26(16-19)15-17-6-3-7-18(14-17)22-11-5-13-28-22/h1-3,5-7,9-11,13-14,19H,4,8,12,15-16H2,(H,25,27)
InChIKeyFHVYRUWZWCDZAN-UHFFFAOYSA-N
XLogP5.92
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 ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 134802760) is N-(2-chlorophenyl)-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is O=C(Nc1ccccc1Cl)C1CCCN(Cc2cccc(-c3cccs3)c2)C1.
What is the InChIKey of N-(2-chlorophenyl)-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is FHVYRUWZWCDZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2OS/c24-20-9-1-2-10-21(20)25-23(27)19-8-4-12-26(16-19)15-17-6-3-7-18(14-17)22-11-5-13-28-22/h1-3,5-7,9-11,13-14,19H,4,8,12,15-16H2,(H,25,27).
What are the key properties of N-(2-chlorophenyl)-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
N-(2-chlorophenyl)-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 410.97 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 134802760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).