1-(4-bromo-3-chlorobenzoyl)piperidin-4-one

C12H11BrClNO2 — CID 81295410

IUPAC1-(4-bromo-3-chlorobenzoyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C12H11BrClNO2/c13-10-2-1-8(7-11(10)14)12(17)15-5-3-9(16)4-6-15/h1-2,7H,3-6H2
InChIKeyUTXOXVXEVFAOHC-UHFFFAOYSA-N
MW316.58 g/mol
LogP2.91
Rot. Bonds1

About 1-(4-bromo-3-chlorobenzoyl)piperidin-4-one

1-(4-bromo-3-chlorobenzoyl)piperidin-4-one (PubChem CID 81295410) has the molecular formula C12H11BrClNO2 and a molecular weight of 316.58 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorobenzoyl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-bromo-3-chlorobenzoyl)piperidin-4-one
PubChem CID81295410
Molecular FormulaC12H11BrClNO2
Molecular Weight316.58 g/mol
Exact Mass314.97
IUPAC Name1-(4-bromo-3-chlorobenzoyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C12H11BrClNO2/c13-10-2-1-8(7-11(10)14)12(17)15-5-3-9(16)4-6-15/h1-2,7H,3-6H2
InChIKeyUTXOXVXEVFAOHC-UHFFFAOYSA-N
XLogP2.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.58
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azocan-1-yl-(4-bromo-3-chlorophenyl)methanone
CID 80979397
(4-bromo-3-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 80979556
6-azaspiro[2.5]octan-6-yl-(4-bromo-3-chlorophenyl)methanone
CID 167530662
1-(4-chloro-3-iodobenzoyl)piperidin-4-one
CID 67568903
(4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646480
(4-bromo-3-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 80980338
8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone
CID 81307681
1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide
CID 80948574
(4-bromo-3-chlorophenyl)-[4-(2-chloroethyl)piperazin-1-yl]methanone
CID 81308220
(4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002096
(4-bromo-3-chlorophenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 81002489
4-(4-bromo-3-chlorobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102847803

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorobenzoyl)piperidin-4-one?
The IUPAC name of 1-(4-bromo-3-chlorobenzoyl)piperidin-4-one (CID 81295410) is 1-(4-bromo-3-chlorobenzoyl)piperidin-4-one.
What is the SMILES notation for 1-(4-bromo-3-chlorobenzoyl)piperidin-4-one?
The canonical SMILES for 1-(4-bromo-3-chlorobenzoyl)piperidin-4-one is O=C1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1.
What is the InChIKey of 1-(4-bromo-3-chlorobenzoyl)piperidin-4-one?
The InChIKey is UTXOXVXEVFAOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO2/c13-10-2-1-8(7-11(10)14)12(17)15-5-3-9(16)4-6-15/h1-2,7H,3-6H2.
What are the key properties of 1-(4-bromo-3-chlorobenzoyl)piperidin-4-one?
1-(4-bromo-3-chlorobenzoyl)piperidin-4-one has a molecular weight of 316.58 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorobenzoyl)piperidin-4-one is sourced from PubChem (CID 81295410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).