1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone

C22H29BrN2O2 — CID 55566412

IUPAC1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1
InChIInChI=1S/C22H29BrN2O2/c23-19-8-6-18(7-9-19)22(10-3-11-22)21(27)25-14-12-24(13-15-25)20(26)16-17-4-1-2-5-17/h6-9,17H,1-5,10-16H2
InChIKeyDMZHPDANCJXSQA-UHFFFAOYSA-N
MW433.39 g/mol
LogP4.12
Rot. Bonds4

About 1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone

1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone (PubChem CID 55566412) has the molecular formula C22H29BrN2O2 and a molecular weight of 433.39 g/mol. Its IUPAC name is 1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone.

Molecular Properties

Compound Name1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone
PubChem CID55566412
Molecular FormulaC22H29BrN2O2
Molecular Weight433.39 g/mol
Exact Mass432.14
IUPAC Name1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1
InChIInChI=1S/C22H29BrN2O2/c23-19-8-6-18(7-9-19)22(10-3-11-22)21(27)25-14-12-24(13-15-25)20(26)16-17-4-1-2-5-17/h6-9,17H,1-5,10-16H2
InChIKeyDMZHPDANCJXSQA-UHFFFAOYSA-N
XLogP4.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid
CID 119177843
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone
CID 119375691
[1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562761
azepan-1-yl-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-4-yl]methanone
CID 55554449
[1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone
CID 55555458
[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 60715919
(3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride
CID 119380404
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclopropyl]methanone;hydrochloride
CID 119375609
1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 31782032
[1-(4-bromophenyl)cyclobutyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 112812751
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(4-bromophenyl)cyclopropyl]methanone
CID 55520605
1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide
CID 71894711

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone?
The IUPAC name of 1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone (CID 55566412) is 1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone.
What is the SMILES notation for 1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone?
The canonical SMILES for 1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone is O=C(CC1CCCC1)N1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1.
What is the InChIKey of 1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone?
The InChIKey is DMZHPDANCJXSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29BrN2O2/c23-19-8-6-18(7-9-19)22(10-3-11-22)21(27)25-14-12-24(13-15-25)20(26)16-17-4-1-2-5-17/h6-9,17H,1-5,10-16H2.
What are the key properties of 1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone?
1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone has a molecular weight of 433.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone is sourced from PubChem (CID 55566412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).