1-(2-chlorobenzoyl)piperidin-4-one

C12H12ClNO2 — CID 24693065

IUPAC1-(2-chlorobenzoyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C12H12ClNO2/c13-11-4-2-1-3-10(11)12(16)14-7-5-9(15)6-8-14/h1-4H,5-8H2
InChIKeyBSCVZXWTQZIDPE-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.15
Rot. Bonds1

About 1-(2-chlorobenzoyl)piperidin-4-one

1-(2-chlorobenzoyl)piperidin-4-one (PubChem CID 24693065) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)piperidin-4-one
PubChem CID24693065
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name1-(2-chlorobenzoyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C12H12ClNO2/c13-11-4-2-1-3-10(11)12(16)14-7-5-9(15)6-8-14/h1-4H,5-8H2
InChIKeyBSCVZXWTQZIDPE-UHFFFAOYSA-N
XLogP2.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorobenzoyl)azepan-4-one
CID 84581173
1-(2-hydroxybenzoyl)piperidin-4-one
CID 24689914
1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626
(2-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 2804981
1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 24701821
4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 2050566
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
1-(2-nitrobenzoyl)piperidin-4-one
CID 24694101
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110365462
(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333
5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053726
(2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 110472967

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)piperidin-4-one?
The IUPAC name of 1-(2-chlorobenzoyl)piperidin-4-one (CID 24693065) is 1-(2-chlorobenzoyl)piperidin-4-one.
What is the SMILES notation for 1-(2-chlorobenzoyl)piperidin-4-one?
The canonical SMILES for 1-(2-chlorobenzoyl)piperidin-4-one is O=C1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorobenzoyl)piperidin-4-one?
The InChIKey is BSCVZXWTQZIDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c13-11-4-2-1-3-10(11)12(16)14-7-5-9(15)6-8-14/h1-4H,5-8H2.
What are the key properties of 1-(2-chlorobenzoyl)piperidin-4-one?
1-(2-chlorobenzoyl)piperidin-4-one has a molecular weight of 237.69 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobenzoyl)piperidin-4-one is sourced from PubChem (CID 24693065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).