1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone

C18H23BrN2O2 — CID 39975229

IUPAC1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2(c3cccc(Br)c3)CCCC2)CC1
InChIInChI=1S/C18H23BrN2O2/c1-14(22)20-9-11-21(12-10-20)17(23)18(7-2-3-8-18)15-5-4-6-16(19)13-15/h4-6,13H,2-3,7-12H2,1H3
InChIKeyUULDSQLHNPTMGJ-UHFFFAOYSA-N
MW379.30 g/mol
LogP2.95
Rot. Bonds2

About 1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone

1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone (PubChem CID 39975229) has the molecular formula C18H23BrN2O2 and a molecular weight of 379.30 g/mol. Its IUPAC name is 1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone
PubChem CID39975229
Molecular FormulaC18H23BrN2O2
Molecular Weight379.30 g/mol
Exact Mass378.09
IUPAC Name1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2(c3cccc(Br)c3)CCCC2)CC1
InChIInChI=1S/C18H23BrN2O2/c1-14(22)20-9-11-21(12-10-20)17(23)18(7-2-3-8-18)15-5-4-6-16(19)13-15/h4-6,13H,2-3,7-12H2,1H3
InChIKeyUULDSQLHNPTMGJ-UHFFFAOYSA-N
XLogP2.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 134034309
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-bromophenyl)cyclopentyl]methanone
CID 120818548
[1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401763
[1-(3-bromophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 55652942
1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 31782032
[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609
(3R)-1-[1-(3-bromophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695146
1-[1-(3-bromophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256916
[4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 55807895
1-(3-bromophenyl)cyclohexane-1-carbohydrazide
CID 116844534
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
(5R)-9-[1-(3-bromophenyl)cyclopentanecarbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one
CID 151941208

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone (CID 39975229) is 1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2(c3cccc(Br)c3)CCCC2)CC1.
What is the InChIKey of 1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone?
The InChIKey is UULDSQLHNPTMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O2/c1-14(22)20-9-11-21(12-10-20)17(23)18(7-2-3-8-18)15-5-4-6-16(19)13-15/h4-6,13H,2-3,7-12H2,1H3.
What are the key properties of 1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone?
1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone has a molecular weight of 379.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 39975229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).