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

C22H25ClN2O2 — CID 55368369

IUPAC1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC(C)c2ccc(Cl)cc2)(c2ccccc2)CC1
InChIInChI=1S/C22H25ClN2O2/c1-16(18-8-10-20(23)11-9-18)24-21(27)22(19-6-4-3-5-7-19)12-14-25(15-13-22)17(2)26/h3-11,16H,12-15H2,1-2H3,(H,24,27)
InChIKeyNLMZKQCIIYOZFX-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.10
Rot. Bonds4

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

1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 55368369) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide
PubChem CID55368369
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC(C)c2ccc(Cl)cc2)(c2ccccc2)CC1
InChIInChI=1S/C22H25ClN2O2/c1-16(18-8-10-20(23)11-9-18)24-21(27)22(19-6-4-3-5-7-19)12-14-25(15-13-22)17(2)26/h3-11,16H,12-15H2,1-2H3,(H,24,27)
InChIKeyNLMZKQCIIYOZFX-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 26071120
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[4-(4-fluorophenyl)benzoyl]-4-phenylpiperidine-4-carboxamide
CID 59527736
1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide
CID 97310746
4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 59527744
4-phenyl-N-[(1S)-1-phenylethyl]-1-(4-piperidin-1-ylbenzoyl)piperidine-4-carboxamide
CID 59527796
1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide
CID 55368593
N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 33361071
1-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51199191
1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 41070987
N-[1-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 110437540
1-[1-(4-chlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095918
N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 133165833

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide (CID 55368369) is 1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NC(C)c2ccc(Cl)cc2)(c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is NLMZKQCIIYOZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-16(18-8-10-20(23)11-9-18)24-21(27)22(19-6-4-3-5-7-19)12-14-25(15-13-22)17(2)26/h3-11,16H,12-15H2,1-2H3,(H,24,27).
What are the key properties of 1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide?
1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 55368369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).