3-cyclopropyl-1-(3,5-dimethylphenyl)-3,6-dimethylpiperazine-2,5-dione

C17H22N2O2 — CID 64959074

IUPAC3-cyclopropyl-1-(3,5-dimethylphenyl)-3,6-dimethylpiperazine-2,5-dione
SMILESCc1cc(C)cc(N2C(=O)C(C)(C3CC3)NC(=O)C2C)c1
InChIInChI=1S/C17H22N2O2/c1-10-7-11(2)9-14(8-10)19-12(3)15(20)18-17(4,16(19)21)13-5-6-13/h7-9,12-13H,5-6H2,1-4H3,(H,18,20)
InChIKeySOPNNVIWNFHVBB-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.32
Rot. Bonds2

About 3-cyclopropyl-1-(3,5-dimethylphenyl)-3,6-dimethylpiperazine-2,5-dione

3-cyclopropyl-1-(3,5-dimethylphenyl)-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64959074) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3,5-dimethylphenyl)-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(3,5-dimethylphenyl)-3,6-dimethylpiperazine-2,5-dione
PubChem CID64959074
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-cyclopropyl-1-(3,5-dimethylphenyl)-3,6-dimethylpiperazine-2,5-dione
SMILESCc1cc(C)cc(N2C(=O)C(C)(C3CC3)NC(=O)C2C)c1
InChIInChI=1S/C17H22N2O2/c1-10-7-11(2)9-14(8-10)19-12(3)15(20)18-17(4,16(19)21)13-5-6-13/h7-9,12-13H,5-6H2,1-4H3,(H,18,20)
InChIKeySOPNNVIWNFHVBB-UHFFFAOYSA-N
XLogP2.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-1-(3,5-dimethylphenyl)-3,6-dimethylpiperazine-2,5-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

1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64970664
3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64958019
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione
CID 64961110
3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione
CID 64958945
1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64965252
1-(5-bromo-2-chlorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64970117
1-(5-bromo-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64960984
3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione
CID 107586974
3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
CID 64886897
3-cyclopropyl-3,6-dimethyl-1-(2-methylcyclopropyl)piperazine-2,5-dione
CID 64969515
1-(cyclopentylmethyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64887277
3-cyclopropyl-1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione
CID 65043459

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3,5-dimethylphenyl)-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(3,5-dimethylphenyl)-3,6-dimethylpiperazine-2,5-dione (CID 64959074) is 3-cyclopropyl-1-(3,5-dimethylphenyl)-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(3,5-dimethylphenyl)-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(3,5-dimethylphenyl)-3,6-dimethylpiperazine-2,5-dione is Cc1cc(C)cc(N2C(=O)C(C)(C3CC3)NC(=O)C2C)c1.
What is the InChIKey of 3-cyclopropyl-1-(3,5-dimethylphenyl)-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is SOPNNVIWNFHVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10-7-11(2)9-14(8-10)19-12(3)15(20)18-17(4,16(19)21)13-5-6-13/h7-9,12-13H,5-6H2,1-4H3,(H,18,20).
What are the key properties of 3-cyclopropyl-1-(3,5-dimethylphenyl)-3,6-dimethylpiperazine-2,5-dione?
3-cyclopropyl-1-(3,5-dimethylphenyl)-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 2.32, 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)-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64959074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).