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

C19H20ClN3O2 — CID 24790137

IUPAC1-[(4-chlorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H20ClN3O2/c20-16-7-4-14(5-8-16)12-23-13-15(6-9-18(23)24)19(25)22-11-17-3-1-2-10-21-17/h1-5,7-8,10,15H,6,9,11-13H2,(H,22,25)
InChIKeySKNGRPHVXUWHCJ-UHFFFAOYSA-N
MW357.84 g/mol
LogP2.79
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 24790137) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID24790137
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name1-[(4-chlorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H20ClN3O2/c20-16-7-4-14(5-8-16)12-23-13-15(6-9-18(23)24)19(25)22-11-17-3-1-2-10-21-17/h1-5,7-8,10,15H,6,9,11-13H2,(H,22,25)
InChIKeySKNGRPHVXUWHCJ-UHFFFAOYSA-N
XLogP2.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 52.79
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-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 24790137) is 1-[(4-chlorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccccn1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is SKNGRPHVXUWHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-16-7-4-14(5-8-16)12-23-13-15(6-9-18(23)24)19(25)22-11-17-3-1-2-10-21-17/h1-5,7-8,10,15H,6,9,11-13H2,(H,22,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 2.79, 5 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-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24790137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).