2-[1-(3-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one

C17H20ClNO2 — CID 79539412

IUPAC2-[1-(3-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCCN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClNO2/c18-13-6-3-5-12(11-13)17(21)19-10-2-1-8-15(19)14-7-4-9-16(14)20/h3,5-6,11,14-15H,1-2,4,7-10H2
InChIKeyHKKRZIALQCICPT-UHFFFAOYSA-N
MW305.80 g/mol
LogP3.70
Rot. Bonds2

About 2-[1-(3-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one

2-[1-(3-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one (PubChem CID 79539412) has the molecular formula C17H20ClNO2 and a molecular weight of 305.80 g/mol. Its IUPAC name is 2-[1-(3-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(3-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one
PubChem CID79539412
Molecular FormulaC17H20ClNO2
Molecular Weight305.80 g/mol
Exact Mass305.12
IUPAC Name2-[1-(3-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCCN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClNO2/c18-13-6-3-5-12(11-13)17(21)19-10-2-1-8-15(19)14-7-4-9-16(14)20/h3,5-6,11,14-15H,1-2,4,7-10H2
InChIKeyHKKRZIALQCICPT-UHFFFAOYSA-N
XLogP3.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one
CID 79538176
2-[1-(3-bromobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79548256
(4aS,8aR)-1-benzoyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 754278
2-[1-(5-chloro-2-hydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538765
(3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421627
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
2-[1-(4-bromo-3-hydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 103957729
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538753
(2S)-2-[(2R)-1-[3-(1,3-thiazol-2-yloxy)benzoyl]azepan-2-yl]cyclohexan-1-one
CID 99717722
2-[1-[3-(1,3-thiazol-2-yloxy)benzoyl]azepan-2-yl]cyclohexan-1-one
CID 102560066
2-[1-(4-bromobenzoyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79539470
2-[1-(2,3-dihydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 114343667

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(3-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one (CID 79539412) is 2-[1-(3-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(3-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(3-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCCN1C(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one?
The InChIKey is HKKRZIALQCICPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c18-13-6-3-5-12(11-13)17(21)19-10-2-1-8-15(19)14-7-4-9-16(14)20/h3,5-6,11,14-15H,1-2,4,7-10H2.
What are the key properties of 2-[1-(3-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one?
2-[1-(3-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one has a molecular weight of 305.80 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79539412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).