(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone

C20H20ClNO2 — CID 110289382

IUPAC(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone
SMILESCc1ccccc1C(=O)N1CCCC(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20ClNO2/c1-14-5-2-3-7-18(14)20(24)22-12-4-6-16(13-22)19(23)15-8-10-17(21)11-9-15/h2-3,5,7-11,16H,4,6,12-13H2,1H3
InChIKeyVSOZATGXVWSPBS-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.38
Rot. Bonds3

About (4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone

(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone (PubChem CID 110289382) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone
PubChem CID110289382
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Name(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone
SMILESCc1ccccc1C(=O)N1CCCC(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20ClNO2/c1-14-5-2-3-7-18(14)20(24)22-12-4-6-16(13-22)19(23)15-8-10-17(21)11-9-15/h2-3,5,7-11,16H,4,6,12-13H2,1H3
InChIKeyVSOZATGXVWSPBS-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

(4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone
CID 110289388
[3-(4-chlorophenyl)azepan-1-yl]-(2-methylphenyl)methanone
CID 121146469
(4-chlorophenyl)-[(3S)-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone
CID 42098520
1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone
CID 45202769
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110289396
[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
5,6-dimethyl-3-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 25455356
[1-(2-chlorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
CID 11174940

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone (CID 110289382) is (4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone is Cc1ccccc1C(=O)N1CCCC(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone?
The InChIKey is VSOZATGXVWSPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-14-5-2-3-7-18(14)20(24)22-12-4-6-16(13-22)19(23)15-8-10-17(21)11-9-15/h2-3,5,7-11,16H,4,6,12-13H2,1H3.
What are the key properties of (4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone?
(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-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-3-yl]methanone is sourced from PubChem (CID 110289382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).