4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione

C15H15BrN2O3 — CID 66063502

IUPAC4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H15BrN2O3/c1-9-13(20)17-12(19)8-18(9)14(21)15(6-7-15)10-2-4-11(16)5-3-10/h2-5,9H,6-8H2,1H3,(H,17,19,20)
InChIKeyUVIHUQHFPLBGSU-UHFFFAOYSA-N
MW351.20 g/mol
LogP1.35
Rot. Bonds2

About 4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione

4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione (PubChem CID 66063502) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione
PubChem CID66063502
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H15BrN2O3/c1-9-13(20)17-12(19)8-18(9)14(21)15(6-7-15)10-2-4-11(16)5-3-10/h2-5,9H,6-8H2,1H3,(H,17,19,20)
InChIKeyUVIHUQHFPLBGSU-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione 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

(2S)-N-[(3S)-1-[2-(4-bromophenyl)ethyl]piperidin-3-yl]-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide
CID 57394212
N-[3-(4-bromophenyl)-1-(hydroxyamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 127041512
[(1S)-2-(4-bromophenyl)cyclopropyl]-(4-cyclobutylpiperazin-1-yl)methanone
CID 57618984
[(1R)-2-(4-bromophenyl)cyclopropyl]-(4-cyclobutylpiperazin-1-yl)methanone
CID 57619003
3-(4-Bromophenyl)-2-piperazinone
CID 62351222
1-[1-(4-Bromophenyl)cyclopropanecarbonyl]-1,4-diazepan-5-one
CID 56821257
2-[[1-(4-bromophenyl)cyclopropyl]methyl-methylamino]-N-methylacetamide
CID 72001084
2-[[1-(4-Bromophenyl)cyclopropyl]methyl-methylamino]acetamide
CID 72001444
2-[[1-(4-bromophenyl)cyclopropyl]methyl-methylamino]-N-carbamoylacetamide
CID 72001447
2-[3-(4-Bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]acetamide
CID 72024687
N-[2-(4-aminobutylamino)-1-(4-bromophenyl)-2-oxoethyl]-N-benzylbutanamide
CID 127026973
1-Bromo-4-(4-methylpiperazinocarbonylmethyl)benzene
CID 884392

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione (CID 66063502) is 4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione?
The InChIKey is UVIHUQHFPLBGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-9-13(20)17-12(19)8-18(9)14(21)15(6-7-15)10-2-4-11(16)5-3-10/h2-5,9H,6-8H2,1H3,(H,17,19,20).
What are the key properties of 4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione?
4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione has a molecular weight of 351.20 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66063502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).