3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione

C16H20N2O2 — CID 64958945

IUPAC3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione
SMILESCc1cc(C)cc(N2CC(=O)NC(C)(C3CC3)C2=O)c1
InChIInChI=1S/C16H20N2O2/c1-10-6-11(2)8-13(7-10)18-9-14(19)17-16(3,15(18)20)12-4-5-12/h6-8,12H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyJWNRATGTYIBWJR-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.93
Rot. Bonds2

About 3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione

3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione (PubChem CID 64958945) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione
PubChem CID64958945
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione
SMILESCc1cc(C)cc(N2CC(=O)NC(C)(C3CC3)C2=O)c1
InChIInChI=1S/C16H20N2O2/c1-10-6-11(2)8-13(7-10)18-9-14(19)17-16(3,15(18)20)12-4-5-12/h6-8,12H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyJWNRATGTYIBWJR-UHFFFAOYSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione
CID 64959497
1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 107580172
3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 107580238
1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64970712
1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64964941
3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962108
1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64961466
3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione
CID 64958067
3-cyclopropyl-1-(3,5-dimethylphenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64959074
3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione
CID 64957821
1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64963383
3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64959920

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione (CID 64958945) is 3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione is Cc1cc(C)cc(N2CC(=O)NC(C)(C3CC3)C2=O)c1.
What is the InChIKey of 3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione?
The InChIKey is JWNRATGTYIBWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-6-11(2)8-13(7-10)18-9-14(19)17-16(3,15(18)20)12-4-5-12/h6-8,12H,4-5,9H2,1-3H3,(H,17,19).
What are the key properties of 3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione?
3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64958945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).