1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-cyclopentylpropan-1-one

C19H25BrN2O2 — CID 134020932

IUPAC1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C19H25BrN2O2/c20-17-8-4-3-7-16(17)19(24)22-13-11-21(12-14-22)18(23)10-9-15-5-1-2-6-15/h3-4,7-8,15H,1-2,5-6,9-14H2
InChIKeyXLVVIXGAAZKBFM-UHFFFAOYSA-N
MW393.33 g/mol
LogP3.70
Rot. Bonds4

About 1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-cyclopentylpropan-1-one

1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-cyclopentylpropan-1-one (PubChem CID 134020932) has the molecular formula C19H25BrN2O2 and a molecular weight of 393.33 g/mol. Its IUPAC name is 1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
PubChem CID134020932
Molecular FormulaC19H25BrN2O2
Molecular Weight393.33 g/mol
Exact Mass392.11
IUPAC Name1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C19H25BrN2O2/c20-17-8-4-3-7-16(17)19(24)22-13-11-21(12-14-22)18(23)10-9-15-5-1-2-6-15/h3-4,7-8,15H,1-2,5-6,9-14H2
InChIKeyXLVVIXGAAZKBFM-UHFFFAOYSA-N
XLogP3.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]propan-1-one
CID 60538780
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422478
1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one
CID 52867615
3-cyclopentyl-1-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134020986
[4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone
CID 84607755
3-cyclohexyl-1-[4-(4-phenylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544297
(2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776073
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-(4-chlorophenyl)propan-1-one
CID 108534171
1-[4-(2-chloroquinoline-4-carbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 55917218
3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 134021008
3-[4-(2-bromobenzoyl)-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108543294

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-cyclopentylpropan-1-one?
The IUPAC name of 1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-cyclopentylpropan-1-one (CID 134020932) is 1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-cyclopentylpropan-1-one is O=C(CCC1CCCC1)N1CCN(C(=O)c2ccccc2Br)CC1.
What is the InChIKey of 1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-cyclopentylpropan-1-one?
The InChIKey is XLVVIXGAAZKBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2O2/c20-17-8-4-3-7-16(17)19(24)22-13-11-21(12-14-22)18(23)10-9-15-5-1-2-6-15/h3-4,7-8,15H,1-2,5-6,9-14H2.
What are the key properties of 1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-cyclopentylpropan-1-one?
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-cyclopentylpropan-1-one has a molecular weight of 393.33 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-cyclopentylpropan-1-one is sourced from PubChem (CID 134020932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).