1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide

C18H25ClN2O3 — CID 45174415

IUPAC1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N(CCO)C(=O)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H25ClN2O3/c1-13(2)21(9-10-22)18(24)15-5-8-17(23)20(12-15)11-14-3-6-16(19)7-4-14/h3-4,6-7,13,15,22H,5,8-12H2,1-2H3
InChIKeyUDMXZMIRSPJMLC-UHFFFAOYSA-N
MW352.86 g/mol
LogP2.31
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 45174415) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID45174415
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N(CCO)C(=O)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H25ClN2O3/c1-13(2)21(9-10-22)18(24)15-5-8-17(23)20(12-15)11-14-3-6-16(19)7-4-14/h3-4,6-7,13,15,22H,5,8-12H2,1-2H3
InChIKeyUDMXZMIRSPJMLC-UHFFFAOYSA-N
XLogP2.31
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.31
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-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide (CID 45174415) is 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide is CC(C)N(CCO)C(=O)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is UDMXZMIRSPJMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-13(2)21(9-10-22)18(24)15-5-8-17(23)20(12-15)11-14-3-6-16(19)7-4-14/h3-4,6-7,13,15,22H,5,8-12H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 352.86 g/mol, XLogP of 2.31, 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]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 45174415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).