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

C21H23ClN2O3 — CID 24817182

IUPAC1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
SMILESO=C(NCCOc1ccccc1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H23ClN2O3/c22-18-9-6-16(7-10-18)14-24-15-17(8-11-20(24)25)21(26)23-12-13-27-19-4-2-1-3-5-19/h1-7,9-10,17H,8,11-15H2,(H,23,26)
InChIKeyRDYAUFYVBCTZSQ-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.27
Rot. Bonds7

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

1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide (PubChem CID 24817182) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
PubChem CID24817182
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
SMILESO=C(NCCOc1ccccc1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H23ClN2O3/c22-18-9-6-16(7-10-18)14-24-15-17(8-11-20(24)25)21(26)23-12-13-27-19-4-2-1-3-5-19/h1-7,9-10,17H,8,11-15H2,(H,23,26)
InChIKeyRDYAUFYVBCTZSQ-UHFFFAOYSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)piperidine-3-carboxamide
CID 24793091
1-[(4-chlorophenyl)methyl]-N-(2-cyclopentylethyl)-6-oxopiperidine-3-carboxamide
CID 45199770
(3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide
CID 97148223
(3R)-1-[(4-chlorophenyl)methyl]-N-[3-(4-methoxyphenyl)propyl]-6-oxopiperidine-3-carboxamide
CID 25385822
1-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-6-oxopiperidine-3-carboxamide
CID 45203519
(3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide
CID 42199281
1-[(4-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24817174
1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45234331
(3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide
CID 93017809
1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113183699
6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide
CID 45246000
1-[(4-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxopiperidine-3-carboxamide
CID 45245142

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide (CID 24817182) is 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide is O=C(NCCOc1ccccc1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The InChIKey is RDYAUFYVBCTZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c22-18-9-6-16(7-10-18)14-24-15-17(8-11-20(24)25)21(26)23-12-13-27-19-4-2-1-3-5-19/h1-7,9-10,17H,8,11-15H2,(H,23,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.27, 7 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-phenoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24817182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).