N-[2-(4-chlorophenyl)ethyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide

C25H25ClN2O2S — CID 134801850

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(-c3cccs3)cc2)CC1
InChIInChI=1S/C25H25ClN2O2S/c26-22-9-3-18(4-10-22)11-14-27-24(29)20-12-15-28(16-13-20)25(30)21-7-5-19(6-8-21)23-2-1-17-31-23/h1-10,17,20H,11-16H2,(H,27,29)
InChIKeyHXNSWNJMKGDJRC-UHFFFAOYSA-N
MW453.01 g/mol
LogP5.28
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide (PubChem CID 134801850) has the molecular formula C25H25ClN2O2S and a molecular weight of 453.01 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
PubChem CID134801850
Molecular FormulaC25H25ClN2O2S
Molecular Weight453.01 g/mol
Exact Mass452.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(-c3cccs3)cc2)CC1
InChIInChI=1S/C25H25ClN2O2S/c26-22-9-3-18(4-10-22)11-14-27-24(29)20-12-15-28(16-13-20)25(30)21-7-5-19(6-8-21)23-2-1-17-31-23/h1-10,17,20H,11-16H2,(H,27,29)
InChIKeyHXNSWNJMKGDJRC-UHFFFAOYSA-N
XLogP5.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.01
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
CID 134801349
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113005012
N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2078307
1-(4-bromobenzoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 27770344
1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 46655706
1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 27670954
N-[2-(4-chlorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946563
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344066
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119548062
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide (CID 134801850) is N-[2-(4-chlorophenyl)ethyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(-c3cccs3)cc2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide?
The InChIKey is HXNSWNJMKGDJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O2S/c26-22-9-3-18(4-10-22)11-14-27-24(29)20-12-15-28(16-13-20)25(30)21-7-5-19(6-8-21)23-2-1-17-31-23/h1-10,17,20H,11-16H2,(H,27,29).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide has a molecular weight of 453.01 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 134801850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).