1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide

C22H25ClN2O2 — CID 113006490

IUPAC1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H25ClN2O2/c1-15-11-16(2)13-20(12-15)24-22(27)18-7-9-25(10-8-18)21(26)14-17-3-5-19(23)6-4-17/h3-6,11-13,18H,7-10,14H2,1-2H3,(H,24,27)
InChIKeyBWEDOODZSLRZFX-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.38
Rot. Bonds4

About 1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide

1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide (PubChem CID 113006490) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
PubChem CID113006490
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H25ClN2O2/c1-15-11-16(2)13-20(12-15)24-22(27)18-7-9-25(10-8-18)21(26)14-17-3-5-19(23)6-4-17/h3-6,11-13,18H,7-10,14H2,1-2H3,(H,24,27)
InChIKeyBWEDOODZSLRZFX-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 113008999
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
1-[2-(4-aminophenyl)acetyl]-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 119787390
1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone
CID 110477076
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008337
N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006448
N-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008428
methyl 3-[[1-[2-(4-methylphenyl)acetyl]piperidine-4-carbonyl]amino]benzoate
CID 113007991
N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113007926
2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108559585
N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007176

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide (CID 113006490) is 1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide is Cc1cc(C)cc(NC(=O)C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide?
The InChIKey is BWEDOODZSLRZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-15-11-16(2)13-20(12-15)24-22(27)18-7-9-25(10-8-18)21(26)14-17-3-5-19(23)6-4-17/h3-6,11-13,18H,7-10,14H2,1-2H3,(H,24,27).
What are the key properties of 1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide?
1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113006490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).