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

C23H27ClN2O2 — CID 24791495

IUPAC1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H27ClN2O2/c24-21-11-8-19(9-12-21)14-16-26-17-20(10-13-22(26)27)23(28)25-15-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,11-12,20H,4,7,10,13-17H2,(H,25,28)
InChIKeyWHXGOFDACANDIT-UHFFFAOYSA-N
MW398.93 g/mol
LogP3.87
Rot. Bonds8

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

1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 24791495) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
PubChem CID24791495
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H27ClN2O2/c24-21-11-8-19(9-12-21)14-16-26-17-20(10-13-22(26)27)23(28)25-15-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,11-12,20H,4,7,10,13-17H2,(H,25,28)
InChIKeyWHXGOFDACANDIT-UHFFFAOYSA-N
XLogP3.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide hydrochloride
CID 14783875
N1-(4-chlorobenzyl)-2-benzyl-N3-hydroxymalonamide
CID 16114883
N-((1S)-3-(4-(2-(4-chlorophenyl)-N-ethylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590633
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 56680282
N-(4-chlorobenzyl)-4-phenylbutanamide
CID 885528
2-(4-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 2232369
1-[4-[(4-Chlorobenzoyl)amino]butanoyl]piperidine-3-carboxamide
CID 16323002
N-(1-benzylpiperidin-4-yl)-2-(2-chlorophenyl)acetamide
CID 10736122
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-phenylpropanamide
CID 24758171
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 24758294
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclohexylacetamide
CID 24758295
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-phenylacetamide
CID 24758744

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide (CID 24791495) is 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide is O=C(NCCCc1ccccc1)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is WHXGOFDACANDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c24-21-11-8-19(9-12-21)14-16-26-17-20(10-13-22(26)27)23(28)25-15-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,11-12,20H,4,7,10,13-17H2,(H,25,28).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide?
1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 398.93 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 24791495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).