1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide

C20H22ClN3O2 — CID 24790634

IUPAC1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1cccnc1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22ClN3O2/c21-18-6-3-16(4-7-18)13-24-14-17(5-8-19(24)25)20(26)23-11-9-15-2-1-10-22-12-15/h1-4,6-7,10,12,17H,5,8-9,11,13-14H2,(H,23,26)
InChIKeyYLAOGXVXAWUSDJ-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.83
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide

1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide (PubChem CID 24790634) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
PubChem CID24790634
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1cccnc1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22ClN3O2/c21-18-6-3-16(4-7-18)13-24-14-17(5-8-19(24)25)20(26)23-11-9-15-2-1-10-22-12-15/h1-4,6-7,10,12,17H,5,8-9,11,13-14H2,(H,23,26)
InChIKeyYLAOGXVXAWUSDJ-UHFFFAOYSA-N
XLogP2.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide (CID 24790634) is 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide is O=C(NCCc1cccnc1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide?
The InChIKey is YLAOGXVXAWUSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-18-6-3-16(4-7-18)13-24-14-17(5-8-19(24)25)20(26)23-11-9-15-2-1-10-22-12-15/h1-4,6-7,10,12,17H,5,8-9,11,13-14H2,(H,23,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24790634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).