1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone

C20H20ClNO2 — CID 110289396

IUPAC1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone
SMILESO=C(c1ccc(Cl)cc1)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C20H20ClNO2/c21-18-10-8-16(9-11-18)20(24)17-7-4-12-22(14-17)19(23)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2
InChIKeyXTZOENJMRFTYOJ-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.00
Rot. Bonds4

About 1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone

1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone (PubChem CID 110289396) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone
PubChem CID110289396
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Name1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone
SMILESO=C(c1ccc(Cl)cc1)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C20H20ClNO2/c21-18-10-8-16(9-11-18)20(24)17-7-4-12-22(14-17)19(23)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2
InChIKeyXTZOENJMRFTYOJ-UHFFFAOYSA-N
XLogP4.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-methylbenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110394612
N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
CID 46407573
1-[3-(4-benzoyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 78861461
N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55604677
(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone
CID 110289382
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid
CID 45429214
1-[3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 46546638
1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 110394484
1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119418627
1-[3-(4-chlorophenyl)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 121146584
1-(3-benzoylpiperidin-1-yl)-3-methylbutan-1-one
CID 110394462

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone (CID 110289396) is 1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone is O=C(c1ccc(Cl)cc1)C1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is XTZOENJMRFTYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c21-18-10-8-16(9-11-18)20(24)17-7-4-12-22(14-17)19(23)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2.
What are the key properties of 1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone?
1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 341.84 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 110289396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).