N-[(2-chlorophenyl)methyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide

C18H23ClN2O2 — CID 24820092

IUPACN-[(2-chlorophenyl)methyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H23ClN2O2/c19-16-8-4-1-5-13(16)11-20-18(23)14-9-10-17(22)21(12-14)15-6-2-3-7-15/h1,4-5,8,14-15H,2-3,6-7,9-12H2,(H,20,23)
InChIKeyIBFHVJGIKOTCDU-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.14
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide

N-[(2-chlorophenyl)methyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide (PubChem CID 24820092) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide
PubChem CID24820092
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-[(2-chlorophenyl)methyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H23ClN2O2/c19-16-8-4-1-5-13(16)11-20-18(23)14-9-10-17(22)21(12-14)15-6-2-3-7-15/h1,4-5,8,14-15H,2-3,6-7,9-12H2,(H,20,23)
InChIKeyIBFHVJGIKOTCDU-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide (CID 24820092) is N-[(2-chlorophenyl)methyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide is O=C(NCc1ccccc1Cl)C1CCC(=O)N(C2CCCC2)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide?
The InChIKey is IBFHVJGIKOTCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c19-16-8-4-1-5-13(16)11-20-18(23)14-9-10-17(22)21(12-14)15-6-2-3-7-15/h1,4-5,8,14-15H,2-3,6-7,9-12H2,(H,20,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide has a molecular weight of 334.85 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24820092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).