[4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone

C23H25BrN2O3 — CID 55807895

IUPAC[4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(C(=O)C3(c4cccc(Br)c4)CC3)CC2)ccc1C
InChIInChI=1S/C23H25BrN2O3/c1-16-6-7-17(14-20(16)29-2)21(27)25-10-12-26(13-11-25)22(28)23(8-9-23)18-4-3-5-19(24)15-18/h3-7,14-15H,8-13H2,1-2H3
InChIKeyGAJYKZHAGTUVEX-UHFFFAOYSA-N
MW457.37 g/mol
LogP3.78
Rot. Bonds4

About [4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone

[4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone (PubChem CID 55807895) has the molecular formula C23H25BrN2O3 and a molecular weight of 457.37 g/mol. Its IUPAC name is [4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
PubChem CID55807895
Molecular FormulaC23H25BrN2O3
Molecular Weight457.37 g/mol
Exact Mass456.10
IUPAC Name[4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(C(=O)C3(c4cccc(Br)c4)CC3)CC2)ccc1C
InChIInChI=1S/C23H25BrN2O3/c1-16-6-7-17(14-20(16)29-2)21(27)25-10-12-26(13-11-25)22(28)23(8-9-23)18-4-3-5-19(24)15-18/h3-7,14-15H,8-13H2,1-2H3
InChIKeyGAJYKZHAGTUVEX-UHFFFAOYSA-N
XLogP3.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 134034309
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone;hydrochloride
CID 119736799
1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone
CID 39975229
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 17471283
[4-(3,5-difluorobenzoyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 55808045
[1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401763
[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55574384
1-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119736818
[1-(3-bromophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 55652942
[1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 53016820
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 55183162

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of [4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone (CID 55807895) is [4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for [4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for [4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone is COc1cc(C(=O)N2CCN(C(=O)C3(c4cccc(Br)c4)CC3)CC2)ccc1C.
What is the InChIKey of [4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is GAJYKZHAGTUVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O3/c1-16-6-7-17(14-20(16)29-2)21(27)25-10-12-26(13-11-25)22(28)23(8-9-23)18-4-3-5-19(24)15-18/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of [4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
[4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone has a molecular weight of 457.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 55807895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).