1-[2-(4-chlorophenyl)acetyl]-N-ethyl-N-phenylpiperidine-4-carboxamide

C22H25ClN2O2 — CID 113006703

IUPAC1-[2-(4-chlorophenyl)acetyl]-N-ethyl-N-phenylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H25ClN2O2/c1-2-25(20-6-4-3-5-7-20)22(27)18-12-14-24(15-13-18)21(26)16-17-8-10-19(23)11-9-17/h3-11,18H,2,12-16H2,1H3
InChIKeyCAMJSUCOUVAYMQ-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.17
Rot. Bonds5

About 1-[2-(4-chlorophenyl)acetyl]-N-ethyl-N-phenylpiperidine-4-carboxamide

1-[2-(4-chlorophenyl)acetyl]-N-ethyl-N-phenylpiperidine-4-carboxamide (PubChem CID 113006703) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)acetyl]-N-ethyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)acetyl]-N-ethyl-N-phenylpiperidine-4-carboxamide
PubChem CID113006703
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name1-[2-(4-chlorophenyl)acetyl]-N-ethyl-N-phenylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H25ClN2O2/c1-2-25(20-6-4-3-5-7-20)22(27)18-12-14-24(15-13-18)21(26)16-17-8-10-19(23)11-9-17/h3-11,18H,2,12-16H2,1H3
InChIKeyCAMJSUCOUVAYMQ-UHFFFAOYSA-N
XLogP4.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide
CID 113006682
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 17473186
1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone
CID 110477076
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
N-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide
CID 51320930
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784653
1-butanoyl-N-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide
CID 86849831
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 63596377
2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636
N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147543
2-(4-chlorophenyl)-1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 33335069

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)acetyl]-N-ethyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)acetyl]-N-ethyl-N-phenylpiperidine-4-carboxamide (CID 113006703) is 1-[2-(4-chlorophenyl)acetyl]-N-ethyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)acetyl]-N-ethyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)acetyl]-N-ethyl-N-phenylpiperidine-4-carboxamide is CCN(C(=O)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)acetyl]-N-ethyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is CAMJSUCOUVAYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-2-25(20-6-4-3-5-7-20)22(27)18-12-14-24(15-13-18)21(26)16-17-8-10-19(23)11-9-17/h3-11,18H,2,12-16H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)acetyl]-N-ethyl-N-phenylpiperidine-4-carboxamide?
1-[2-(4-chlorophenyl)acetyl]-N-ethyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)acetyl]-N-ethyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 113006703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).