3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione

C15H19N3O2 — CID 64964160

IUPAC3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
SMILESCC1(C2CC2)NC(=O)CN(CCc2ccncc2)C1=O
InChIInChI=1S/C15H19N3O2/c1-15(12-2-3-12)14(20)18(10-13(19)17-15)9-6-11-4-7-16-8-5-11/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H,17,19)
InChIKeyPYRPQSCABSLYKN-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.75
Rot. Bonds4

About 3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione

3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione (PubChem CID 64964160) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
PubChem CID64964160
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
SMILESCC1(C2CC2)NC(=O)CN(CCc2ccncc2)C1=O
InChIInChI=1S/C15H19N3O2/c1-15(12-2-3-12)14(20)18(10-13(19)17-15)9-6-11-4-7-16-8-5-11/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H,17,19)
InChIKeyPYRPQSCABSLYKN-UHFFFAOYSA-N
XLogP0.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-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

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione (CID 64964160) is 3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione is CC1(C2CC2)NC(=O)CN(CCc2ccncc2)C1=O.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione?
The InChIKey is PYRPQSCABSLYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(12-2-3-12)14(20)18(10-13(19)17-15)9-6-11-4-7-16-8-5-11/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H,17,19).
What are the key properties of 3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione?
3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione has a molecular weight of 273.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64964160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).