1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one

C15H18BrClN2O2 — CID 103826408

IUPAC1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C15H18BrClN2O2/c1-10(2)14(20)18-3-5-19(6-4-18)15(21)11-7-12(16)9-13(17)8-11/h7-10H,3-6H2,1-2H3
InChIKeyBWJOOWYJCWNAPL-UHFFFAOYSA-N
MW373.68 g/mol
LogP3.04
Rot. Bonds2

About 1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one

1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 103826408) has the molecular formula C15H18BrClN2O2 and a molecular weight of 373.68 g/mol. Its IUPAC name is 1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID103826408
Molecular FormulaC15H18BrClN2O2
Molecular Weight373.68 g/mol
Exact Mass372.02
IUPAC Name1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C15H18BrClN2O2/c1-10(2)14(20)18-3-5-19(6-4-18)15(21)11-7-12(16)9-13(17)8-11/h7-10H,3-6H2,1-2H3
InChIKeyBWJOOWYJCWNAPL-UHFFFAOYSA-N
XLogP3.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107940961
(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110407354
(3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107952407
(3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 107952405
[4-(azetidin-3-yl)piperazin-1-yl]-(3-bromo-5-chlorophenyl)methanone
CID 107940039
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone
CID 107940173
(3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812651
(3-bromo-5-chlorophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314300
N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide
CID 103826810
1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one
CID 103942633
(3-bromo-5-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103827075
(3-bromo-5-chlorophenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 103827047

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one (CID 103826408) is 1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1.
What is the InChIKey of 1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is BWJOOWYJCWNAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2O2/c1-10(2)14(20)18-3-5-19(6-4-18)15(21)11-7-12(16)9-13(17)8-11/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 373.68 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 103826408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).