1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone

C21H20ClNO3 — CID 45202769

IUPAC1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C(=O)N1CCCC(C(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C21H20ClNO3/c1-14(24)18-9-2-3-10-19(18)21(26)23-11-5-7-16(13-23)20(25)15-6-4-8-17(22)12-15/h2-4,6,8-10,12,16H,5,7,11,13H2,1H3
InChIKeySCFZGFINVZXDEY-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.28
Rot. Bonds4

About 1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone

1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone (PubChem CID 45202769) has the molecular formula C21H20ClNO3 and a molecular weight of 369.85 g/mol. Its IUPAC name is 1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone
PubChem CID45202769
Molecular FormulaC21H20ClNO3
Molecular Weight369.85 g/mol
Exact Mass369.11
IUPAC Name1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C(=O)N1CCCC(C(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C21H20ClNO3/c1-14(24)18-9-2-3-10-19(18)21(26)23-11-5-7-16(13-23)20(25)15-6-4-8-17(22)12-15/h2-4,6,8-10,12,16H,5,7,11,13H2,1H3
InChIKeySCFZGFINVZXDEY-UHFFFAOYSA-N
XLogP4.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]ethanone
CID 42527385
(3-chlorophenyl)-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone
CID 42288727
methyl 2-[[3-(3-chlorobenzoyl)piperidine-1-carbonyl]amino]benzoate
CID 45169004
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone
CID 110289382
(3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide
CID 42462168
2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate
CID 6983797
(4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone
CID 110289388
3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110394499
(3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 25385725
CID 70315573
CID 70315573
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone?
The IUPAC name of 1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone (CID 45202769) is 1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone is CC(=O)c1ccccc1C(=O)N1CCCC(C(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone?
The InChIKey is SCFZGFINVZXDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3/c1-14(24)18-9-2-3-10-19(18)21(26)23-11-5-7-16(13-23)20(25)15-6-4-8-17(22)12-15/h2-4,6,8-10,12,16H,5,7,11,13H2,1H3.
What are the key properties of 1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone?
1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone has a molecular weight of 369.85 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(3-chlorobenzoyl)piperidine-1-carbonyl]phenyl]ethanone is sourced from PubChem (CID 45202769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).