(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone

C20H20ClNO2 — CID 162669911

IUPAC(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20ClNO2/c1-14-4-2-3-5-18(14)20(24)22-12-10-16(11-13-22)19(23)15-6-8-17(21)9-7-15/h2-9,16H,10-13H2,1H3
InChIKeyBIVBYUZROXXUKY-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.38
Rot. Bonds3

About (4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone

(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone (PubChem CID 162669911) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone
PubChem CID162669911
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Name(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20ClNO2/c1-14-4-2-3-5-18(14)20(24)22-12-10-16(11-13-22)19(23)15-6-8-17(21)9-7-15/h2-9,16H,10-13H2,1H3
InChIKeyBIVBYUZROXXUKY-UHFFFAOYSA-N
XLogP4.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Amiperone
CID 71101
N-benzyl-4-chloro-N-cyclohexylbenzamide
CID 24752728
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
1-Benzyl-4-(3-chlorobenzoyl)piperazine
CID 720140
Bibx-79
CID 501396
N-methyl-N-(2-{1-[(2-methylphenyl)methyl]piperidin-4-yl}ethyl)benzamide hydrochloride
CID 14553615
1-(4-Chlorobenzoyl)-4-methylpiperazine
CID 792974
(4-Benzylpiperidin-1-yl)(3-chlorophenyl)methanone
CID 814705
4-[4-(4-Chlorophenyl)piperidin-1-yl]-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)butan-1-one
CID 21108114
N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(3-hydroxypentan-3-yl)piperidin-1-yl]butyl]-N-methylbenzamide
CID 54537190
5-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride
CID 134133604
N-butyl-4-chloro-N-ethylbenzamide
CID 2164652

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone (CID 162669911) is (4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone is Cc1ccccc1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone?
The InChIKey is BIVBYUZROXXUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-14-4-2-3-5-18(14)20(24)22-12-10-16(11-13-22)19(23)15-6-8-17(21)9-7-15/h2-9,16H,10-13H2,1H3.
What are the key properties of (4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone?
(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone has a molecular weight of 341.84 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 162669911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).