1-[2-chloro-4-(4-oxocyclohexyl)phenyl]piperidin-2-one

C17H20ClNO2 — CID 142618534

IUPAC1-[2-chloro-4-(4-oxocyclohexyl)phenyl]piperidin-2-one
SMILESO=C1CCC(c2ccc(N3CCCCC3=O)c(Cl)c2)CC1
InChIInChI=1S/C17H20ClNO2/c18-15-11-13(12-4-7-14(20)8-5-12)6-9-16(15)19-10-2-1-3-17(19)21/h6,9,11-12H,1-5,7-8,10H2
InChIKeyRALGVNFHGLQENW-UHFFFAOYSA-N
MW305.80 g/mol
LogP4.08
Rot. Bonds2

About 1-[2-chloro-4-(4-oxocyclohexyl)phenyl]piperidin-2-one

1-[2-chloro-4-(4-oxocyclohexyl)phenyl]piperidin-2-one (PubChem CID 142618534) has the molecular formula C17H20ClNO2 and a molecular weight of 305.80 g/mol. Its IUPAC name is 1-[2-chloro-4-(4-oxocyclohexyl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-chloro-4-(4-oxocyclohexyl)phenyl]piperidin-2-one
PubChem CID142618534
Molecular FormulaC17H20ClNO2
Molecular Weight305.80 g/mol
Exact Mass305.12
IUPAC Name1-[2-chloro-4-(4-oxocyclohexyl)phenyl]piperidin-2-one
SMILESO=C1CCC(c2ccc(N3CCCCC3=O)c(Cl)c2)CC1
InChIInChI=1S/C17H20ClNO2/c18-15-11-13(12-4-7-14(20)8-5-12)6-9-16(15)19-10-2-1-3-17(19)21/h6,9,11-12H,1-5,7-8,10H2
InChIKeyRALGVNFHGLQENW-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-(2-oxopiperidin-1-yl)benzenecarbothioamide
CID 114003528
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CID 171406571
1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one
CID 63090019
4-(4-chloro-3-fluorophenyl)cyclohexan-1-one
CID 134381360
2-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione
CID 18451548
3-amino-4-(2-oxopiperidin-1-yl)benzoic acid
CID 63117149
1-(4-fluoro-2-iodophenyl)azepan-2-one
CID 79765997
5-amino-2-(2-oxopiperidin-1-yl)benzoic acid
CID 63116213
1-[4-(2-azaspiro[3.3]heptan-6-yl)-2-chlorophenyl]-1,3-diazinane-2,4-dione
CID 171406830
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
1-(4-amino-2-methylphenyl)piperidin-2-one;ethane
CID 142825432
5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid
CID 16772914

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(4-oxocyclohexyl)phenyl]piperidin-2-one?
The IUPAC name of 1-[2-chloro-4-(4-oxocyclohexyl)phenyl]piperidin-2-one (CID 142618534) is 1-[2-chloro-4-(4-oxocyclohexyl)phenyl]piperidin-2-one.
What is the SMILES notation for 1-[2-chloro-4-(4-oxocyclohexyl)phenyl]piperidin-2-one?
The canonical SMILES for 1-[2-chloro-4-(4-oxocyclohexyl)phenyl]piperidin-2-one is O=C1CCC(c2ccc(N3CCCCC3=O)c(Cl)c2)CC1.
What is the InChIKey of 1-[2-chloro-4-(4-oxocyclohexyl)phenyl]piperidin-2-one?
The InChIKey is RALGVNFHGLQENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c18-15-11-13(12-4-7-14(20)8-5-12)6-9-16(15)19-10-2-1-3-17(19)21/h6,9,11-12H,1-5,7-8,10H2.
What are the key properties of 1-[2-chloro-4-(4-oxocyclohexyl)phenyl]piperidin-2-one?
1-[2-chloro-4-(4-oxocyclohexyl)phenyl]piperidin-2-one has a molecular weight of 305.80 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(4-oxocyclohexyl)phenyl]piperidin-2-one is sourced from PubChem (CID 142618534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).