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

C15H19N3O2 — CID 82744928

IUPAC3-cyclopropyl-1-[(3-ethyl-2-pyridinyl)methyl]piperazine-2,5-dione
SMILESCCc1cccnc1CN1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C15H19N3O2/c1-2-10-4-3-7-16-12(10)8-18-9-13(19)17-14(15(18)20)11-5-6-11/h3-4,7,11,14H,2,5-6,8-9H2,1H3,(H,17,19)
InChIKeyPFNJFWHOBRPHOV-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.88
Rot. Bonds4

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

3-cyclopropyl-1-[(3-ethyl-2-pyridinyl)methyl]piperazine-2,5-dione (PubChem CID 82744928) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(3-ethyl-2-pyridinyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[(3-ethyl-2-pyridinyl)methyl]piperazine-2,5-dione
PubChem CID82744928
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-cyclopropyl-1-[(3-ethyl-2-pyridinyl)methyl]piperazine-2,5-dione
SMILESCCc1cccnc1CN1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C15H19N3O2/c1-2-10-4-3-7-16-12(10)8-18-9-13(19)17-14(15(18)20)11-5-6-11/h3-4,7,11,14H,2,5-6,8-9H2,1H3,(H,17,19)
InChIKeyPFNJFWHOBRPHOV-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-1-[(3-ethyl-2-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 3-cyclopropyl-1-[(3-ethyl-2-pyridinyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[(3-ethyl-2-pyridinyl)methyl]piperazine-2,5-dione (CID 82744928) is 3-cyclopropyl-1-[(3-ethyl-2-pyridinyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[(3-ethyl-2-pyridinyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[(3-ethyl-2-pyridinyl)methyl]piperazine-2,5-dione is CCc1cccnc1CN1CC(=O)NC(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-1-[(3-ethyl-2-pyridinyl)methyl]piperazine-2,5-dione?
The InChIKey is PFNJFWHOBRPHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-10-4-3-7-16-12(10)8-18-9-13(19)17-14(15(18)20)11-5-6-11/h3-4,7,11,14H,2,5-6,8-9H2,1H3,(H,17,19).
What are the key properties of 3-cyclopropyl-1-[(3-ethyl-2-pyridinyl)methyl]piperazine-2,5-dione?
3-cyclopropyl-1-[(3-ethyl-2-pyridinyl)methyl]piperazine-2,5-dione has a molecular weight of 273.34 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(3-ethyl-2-pyridinyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 82744928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).