1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one

C12H12ClNO3 — CID 24706727

IUPAC1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccc(Cl)cc2O)CC1
InChIInChI=1S/C12H12ClNO3/c13-8-1-2-10(11(16)7-8)12(17)14-5-3-9(15)4-6-14/h1-2,7,16H,3-6H2
InChIKeyDSGHMMFMTSIHIN-UHFFFAOYSA-N
MW253.68 g/mol
LogP1.85
Rot. Bonds1

About 1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one

1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one (PubChem CID 24706727) has the molecular formula C12H12ClNO3 and a molecular weight of 253.68 g/mol. Its IUPAC name is 1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one
PubChem CID24706727
Molecular FormulaC12H12ClNO3
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccc(Cl)cc2O)CC1
InChIInChI=1S/C12H12ClNO3/c13-8-1-2-10(11(16)7-8)12(17)14-5-3-9(15)4-6-14/h1-2,7,16H,3-6H2
InChIKeyDSGHMMFMTSIHIN-UHFFFAOYSA-N
XLogP1.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626
1-(2-hydroxybenzoyl)piperidin-4-one
CID 24689914
(4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone
CID 63398279
2-(4-chloro-2-hydroxybenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863557
(4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 15942376
(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61227227
(4-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916566
(4-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029566
(4-chloro-2-hydroxyphenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65282816
1-(2-chlorobenzoyl)piperidin-4-one
CID 24693065
2-[4-(4-chloro-2-hydroxybenzoyl)piperazin-1-yl]propanenitrile
CID 63337723
(4-chloro-2-hydroxyphenyl)-[4-(dimethylamino)azepan-1-yl]methanone
CID 56890134

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one?
The IUPAC name of 1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one (CID 24706727) is 1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one.
What is the SMILES notation for 1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one?
The canonical SMILES for 1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one is O=C1CCN(C(=O)c2ccc(Cl)cc2O)CC1.
What is the InChIKey of 1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one?
The InChIKey is DSGHMMFMTSIHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c13-8-1-2-10(11(16)7-8)12(17)14-5-3-9(15)4-6-14/h1-2,7,16H,3-6H2.
What are the key properties of 1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one?
1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one has a molecular weight of 253.68 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one is sourced from PubChem (CID 24706727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).