1-[(4-chlorophenyl)methyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide

C18H23ClN2O3 — CID 24793985

IUPAC1-[(4-chlorophenyl)methyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NC1CCOCC1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H23ClN2O3/c19-15-4-1-13(2-5-15)11-21-12-14(3-6-17(21)22)18(23)20-16-7-9-24-10-8-16/h1-2,4-5,14,16H,3,6-12H2,(H,20,23)
InChIKeyYAYLPSGUQOCKGV-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.37
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 24793985) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide
PubChem CID24793985
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NC1CCOCC1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H23ClN2O3/c19-15-4-1-13(2-5-15)11-21-12-14(3-6-17(21)22)18(23)20-16-7-9-24-10-8-16/h1-2,4-5,14,16H,3,6-12H2,(H,20,23)
InChIKeyYAYLPSGUQOCKGV-UHFFFAOYSA-N
XLogP2.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.37
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]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide (CID 24793985) is 1-[(4-chlorophenyl)methyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide is O=C(NC1CCOCC1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is YAYLPSGUQOCKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c19-15-4-1-13(2-5-15)11-21-12-14(3-6-17(21)22)18(23)20-16-7-9-24-10-8-16/h1-2,4-5,14,16H,3,6-12H2,(H,20,23).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 350.85 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24793985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).