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

C15H18N2O2 — CID 64959039

IUPAC3-cyclopropyl-1-(3,5-dimethylphenyl)piperazine-2,5-dione
SMILESCc1cc(C)cc(N2CC(=O)NC(C3CC3)C2=O)c1
InChIInChI=1S/C15H18N2O2/c1-9-5-10(2)7-12(6-9)17-8-13(18)16-14(15(17)19)11-3-4-11/h5-7,11,14H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyDBRYGBXMHPHXDV-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.54
Rot. Bonds2

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

3-cyclopropyl-1-(3,5-dimethylphenyl)piperazine-2,5-dione (PubChem CID 64959039) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3,5-dimethylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(3,5-dimethylphenyl)piperazine-2,5-dione
PubChem CID64959039
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-cyclopropyl-1-(3,5-dimethylphenyl)piperazine-2,5-dione
SMILESCc1cc(C)cc(N2CC(=O)NC(C3CC3)C2=O)c1
InChIInChI=1S/C15H18N2O2/c1-9-5-10(2)7-12(6-9)17-8-13(18)16-14(15(17)19)11-3-4-11/h5-7,11,14H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyDBRYGBXMHPHXDV-UHFFFAOYSA-N
XLogP1.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3,5-dimethylphenyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(3,5-dimethylphenyl)piperazine-2,5-dione (CID 64959039) is 3-cyclopropyl-1-(3,5-dimethylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(3,5-dimethylphenyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(3,5-dimethylphenyl)piperazine-2,5-dione is Cc1cc(C)cc(N2CC(=O)NC(C3CC3)C2=O)c1.
What is the InChIKey of 3-cyclopropyl-1-(3,5-dimethylphenyl)piperazine-2,5-dione?
The InChIKey is DBRYGBXMHPHXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-5-10(2)7-12(6-9)17-8-13(18)16-14(15(17)19)11-3-4-11/h5-7,11,14H,3-4,8H2,1-2H3,(H,16,18).
What are the key properties of 3-cyclopropyl-1-(3,5-dimethylphenyl)piperazine-2,5-dione?
3-cyclopropyl-1-(3,5-dimethylphenyl)piperazine-2,5-dione has a molecular weight of 258.32 g/mol, XLogP of 1.54, 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)piperazine-2,5-dione is sourced from PubChem (CID 64959039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).