1-(2,4-dichlorobenzoyl)piperidin-4-one

C12H11Cl2NO2 — CID 24690626

IUPAC1-(2,4-dichlorobenzoyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C12H11Cl2NO2/c13-8-1-2-10(11(14)7-8)12(17)15-5-3-9(16)4-6-15/h1-2,7H,3-6H2
InChIKeyNAGAGSNYUWUJIW-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.80
Rot. Bonds1

About 1-(2,4-dichlorobenzoyl)piperidin-4-one

1-(2,4-dichlorobenzoyl)piperidin-4-one (PubChem CID 24690626) has the molecular formula C12H11Cl2NO2 and a molecular weight of 272.13 g/mol. Its IUPAC name is 1-(2,4-dichlorobenzoyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2,4-dichlorobenzoyl)piperidin-4-one
PubChem CID24690626
Molecular FormulaC12H11Cl2NO2
Molecular Weight272.13 g/mol
Exact Mass271.02
IUPAC Name1-(2,4-dichlorobenzoyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C12H11Cl2NO2/c13-8-1-2-10(11(14)7-8)12(17)15-5-3-9(16)4-6-15/h1-2,7H,3-6H2
InChIKeyNAGAGSNYUWUJIW-UHFFFAOYSA-N
XLogP2.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one
CID 24706727
1-(2,4-dichlorobenzoyl)-1,4-diazepan-5-one
CID 55027869
1-(2-chlorobenzoyl)piperidin-4-one
CID 24693065
(2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 110721545
4-(2,4-dichlorobenzoyl)piperazine-1-carbothioamide
CID 2050568
[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 2050587
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671362
1-(2-chlorobenzoyl)azepan-4-one
CID 84581173
4-(2,4-dichlorobenzoyl)piperazine-2,6-dione
CID 66085866
1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251616
4-(2,4-dichlorobenzoyl)piperazin-2-one
CID 30288935

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorobenzoyl)piperidin-4-one?
The IUPAC name of 1-(2,4-dichlorobenzoyl)piperidin-4-one (CID 24690626) is 1-(2,4-dichlorobenzoyl)piperidin-4-one.
What is the SMILES notation for 1-(2,4-dichlorobenzoyl)piperidin-4-one?
The canonical SMILES for 1-(2,4-dichlorobenzoyl)piperidin-4-one is O=C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(2,4-dichlorobenzoyl)piperidin-4-one?
The InChIKey is NAGAGSNYUWUJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO2/c13-8-1-2-10(11(14)7-8)12(17)15-5-3-9(16)4-6-15/h1-2,7H,3-6H2.
What are the key properties of 1-(2,4-dichlorobenzoyl)piperidin-4-one?
1-(2,4-dichlorobenzoyl)piperidin-4-one has a molecular weight of 272.13 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorobenzoyl)piperidin-4-one is sourced from PubChem (CID 24690626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).