6-cyclopropyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione

C15H19N3O2 — CID 102879726

IUPAC6-cyclopropyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
SMILESCc1cncc(CN2C(=O)C(C)NC(=O)C2C2CC2)c1
InChIInChI=1S/C15H19N3O2/c1-9-5-11(7-16-6-9)8-18-13(12-3-4-12)14(19)17-10(2)15(18)20/h5-7,10,12-13H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyGNUZWPOUUQVZEN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.02
Rot. Bonds3

About 6-cyclopropyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione

6-cyclopropyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione (PubChem CID 102879726) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-cyclopropyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
PubChem CID102879726
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-cyclopropyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
SMILESCc1cncc(CN2C(=O)C(C)NC(=O)C2C2CC2)c1
InChIInChI=1S/C15H19N3O2/c1-9-5-11(7-16-6-9)8-18-13(12-3-4-12)14(19)17-10(2)15(18)20/h5-7,10,12-13H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyGNUZWPOUUQVZEN-UHFFFAOYSA-N
XLogP1.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-cyclopropyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]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 6-cyclopropyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione (CID 102879726) is 6-cyclopropyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione is Cc1cncc(CN2C(=O)C(C)NC(=O)C2C2CC2)c1.
What is the InChIKey of 6-cyclopropyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
The InChIKey is GNUZWPOUUQVZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-5-11(7-16-6-9)8-18-13(12-3-4-12)14(19)17-10(2)15(18)20/h5-7,10,12-13H,3-4,8H2,1-2H3,(H,17,19).
What are the key properties of 6-cyclopropyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione?
6-cyclopropyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione has a molecular weight of 273.34 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 102879726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).