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

C23H27ClN2O3 — CID 24793219

IUPAC1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H27ClN2O3/c1-25(15-16-29-21-5-3-2-4-6-21)23(28)19-9-12-22(27)26(17-19)14-13-18-7-10-20(24)11-8-18/h2-8,10-11,19H,9,12-17H2,1H3
InChIKeyAYFRXAOXLAIQSW-UHFFFAOYSA-N
MW414.93 g/mol
LogP3.66
Rot. Bonds8

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

1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide (PubChem CID 24793219) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
PubChem CID24793219
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H27ClN2O3/c1-25(15-16-29-21-5-3-2-4-6-21)23(28)19-9-12-22(27)26(17-19)14-13-18-7-10-20(24)11-8-18/h2-8,10-11,19H,9,12-17H2,1H3
InChIKeyAYFRXAOXLAIQSW-UHFFFAOYSA-N
XLogP3.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide (CID 24793219) is 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide is CN(CCOc1ccccc1)C(=O)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The InChIKey is AYFRXAOXLAIQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-25(15-16-29-21-5-3-2-4-6-21)23(28)19-9-12-22(27)26(17-19)14-13-18-7-10-20(24)11-8-18/h2-8,10-11,19H,9,12-17H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide?
1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide has a molecular weight of 414.93 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24793219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).