1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione

C16H19BrN2O2 — CID 64970664

IUPAC1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
SMILESCc1ccc(N2C(=O)C(C)(C3CC3)NC(=O)C2C)cc1Br
InChIInChI=1S/C16H19BrN2O2/c1-9-4-7-12(8-13(9)17)19-10(2)14(20)18-16(3,15(19)21)11-5-6-11/h4,7-8,10-11H,5-6H2,1-3H3,(H,18,20)
InChIKeyGFKUPBYSRKABBM-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.78
Rot. Bonds2

About 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione

1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64970664) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
PubChem CID64970664
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
SMILESCc1ccc(N2C(=O)C(C)(C3CC3)NC(=O)C2C)cc1Br
InChIInChI=1S/C16H19BrN2O2/c1-9-4-7-12(8-13(9)17)19-10(2)14(20)18-16(3,15(19)21)11-5-6-11/h4,7-8,10-11H,5-6H2,1-3H3,(H,18,20)
InChIKeyGFKUPBYSRKABBM-UHFFFAOYSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(3,5-dimethylphenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64959074
1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64970712
3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64958019
1-(5-bromo-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64960984
1-(5-bromo-2-chlorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64970117
1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64965252
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione
CID 64961110
1-(3-bromo-4-methylphenyl)-3,3,5-trimethyl-1,4-diazepan-2-one
CID 84606522
1-(3-bromo-4-methylphenyl)-2,5,5-trimethylpiperazine
CID 64940433
3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 64957444
3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
CID 64886897
9-(3-bromophenyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64961543

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione (CID 64970664) is 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione is Cc1ccc(N2C(=O)C(C)(C3CC3)NC(=O)C2C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is GFKUPBYSRKABBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-9-4-7-12(8-13(9)17)19-10(2)14(20)18-16(3,15(19)21)11-5-6-11/h4,7-8,10-11H,5-6H2,1-3H3,(H,18,20).
What are the key properties of 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione?
1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 351.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64970664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).