1-[[2-(methylamino)-3-pyridinyl]methyl]-4-propylpiperazine-2,5-dione

C14H20N4O2 — CID 79942502

IUPAC1-[[2-(methylamino)-3-pyridinyl]methyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2cccnc2NC)CC1=O
InChIInChI=1S/C14H20N4O2/c1-3-7-17-9-13(20)18(10-12(17)19)8-11-5-4-6-16-14(11)15-2/h4-6H,3,7-10H2,1-2H3,(H,15,16)
InChIKeyCRQXOWZOBDSVDF-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.70
Rot. Bonds5

About 1-[[2-(methylamino)-3-pyridinyl]methyl]-4-propylpiperazine-2,5-dione

1-[[2-(methylamino)-3-pyridinyl]methyl]-4-propylpiperazine-2,5-dione (PubChem CID 79942502) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[[2-(methylamino)-3-pyridinyl]methyl]-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[[2-(methylamino)-3-pyridinyl]methyl]-4-propylpiperazine-2,5-dione
PubChem CID79942502
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[[2-(methylamino)-3-pyridinyl]methyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2cccnc2NC)CC1=O
InChIInChI=1S/C14H20N4O2/c1-3-7-17-9-13(20)18(10-12(17)19)8-11-5-4-6-16-14(11)15-2/h4-6H,3,7-10H2,1-2H3,(H,15,16)
InChIKeyCRQXOWZOBDSVDF-UHFFFAOYSA-N
XLogP0.70
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(methylamino)-3-pyridinyl]methyl]-4-propylpiperazine-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 1-[[2-(methylamino)-3-pyridinyl]methyl]-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-[[2-(methylamino)-3-pyridinyl]methyl]-4-propylpiperazine-2,5-dione (CID 79942502) is 1-[[2-(methylamino)-3-pyridinyl]methyl]-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[[2-(methylamino)-3-pyridinyl]methyl]-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[[2-(methylamino)-3-pyridinyl]methyl]-4-propylpiperazine-2,5-dione is CCCN1CC(=O)N(Cc2cccnc2NC)CC1=O.
What is the InChIKey of 1-[[2-(methylamino)-3-pyridinyl]methyl]-4-propylpiperazine-2,5-dione?
The InChIKey is CRQXOWZOBDSVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-7-17-9-13(20)18(10-12(17)19)8-11-5-4-6-16-14(11)15-2/h4-6H,3,7-10H2,1-2H3,(H,15,16).
What are the key properties of 1-[[2-(methylamino)-3-pyridinyl]methyl]-4-propylpiperazine-2,5-dione?
1-[[2-(methylamino)-3-pyridinyl]methyl]-4-propylpiperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methylamino)-3-pyridinyl]methyl]-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 79942502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).