2-(3-ethyl-4-piperidin-4-ylpiperazin-1-yl)-3-methylpyrido[2,3-d]pyrimidin-4-one

C19H28N6O — CID 77398088

IUPAC2-(3-ethyl-4-piperidin-4-ylpiperazin-1-yl)-3-methylpyrido[2,3-d]pyrimidin-4-one
SMILESCCC1CN(c2nc3ncccc3c(=O)n2C)CCN1C1CCNCC1
InChIInChI=1S/C19H28N6O/c1-3-14-13-24(11-12-25(14)15-6-9-20-10-7-15)19-22-17-16(5-4-8-21-17)18(26)23(19)2/h4-5,8,14-15,20H,3,6-7,9-13H2,1-2H3
InChIKeyCMXPOWCCJXEJNJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP0.98
Rot. Bonds3

About 2-(3-ethyl-4-piperidin-4-ylpiperazin-1-yl)-3-methylpyrido[2,3-d]pyrimidin-4-one

2-(3-ethyl-4-piperidin-4-ylpiperazin-1-yl)-3-methylpyrido[2,3-d]pyrimidin-4-one (PubChem CID 77398088) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(3-ethyl-4-piperidin-4-ylpiperazin-1-yl)-3-methylpyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-ethyl-4-piperidin-4-ylpiperazin-1-yl)-3-methylpyrido[2,3-d]pyrimidin-4-one
PubChem CID77398088
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name2-(3-ethyl-4-piperidin-4-ylpiperazin-1-yl)-3-methylpyrido[2,3-d]pyrimidin-4-one
SMILESCCC1CN(c2nc3ncccc3c(=O)n2C)CCN1C1CCNCC1
InChIInChI=1S/C19H28N6O/c1-3-14-13-24(11-12-25(14)15-6-9-20-10-7-15)19-22-17-16(5-4-8-21-17)18(26)23(19)2/h4-5,8,14-15,20H,3,6-7,9-13H2,1-2H3
InChIKeyCMXPOWCCJXEJNJ-UHFFFAOYSA-N
XLogP0.98
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-ethyl-4-piperidin-4-ylpiperazin-1-yl)-3-methylpyrido[2,3-d]pyrimidin-4-one 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 2-(3-ethyl-4-piperidin-4-ylpiperazin-1-yl)-3-methylpyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-ethyl-4-piperidin-4-ylpiperazin-1-yl)-3-methylpyrido[2,3-d]pyrimidin-4-one (CID 77398088) is 2-(3-ethyl-4-piperidin-4-ylpiperazin-1-yl)-3-methylpyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-ethyl-4-piperidin-4-ylpiperazin-1-yl)-3-methylpyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-ethyl-4-piperidin-4-ylpiperazin-1-yl)-3-methylpyrido[2,3-d]pyrimidin-4-one is CCC1CN(c2nc3ncccc3c(=O)n2C)CCN1C1CCNCC1.
What is the InChIKey of 2-(3-ethyl-4-piperidin-4-ylpiperazin-1-yl)-3-methylpyrido[2,3-d]pyrimidin-4-one?
The InChIKey is CMXPOWCCJXEJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-3-14-13-24(11-12-25(14)15-6-9-20-10-7-15)19-22-17-16(5-4-8-21-17)18(26)23(19)2/h4-5,8,14-15,20H,3,6-7,9-13H2,1-2H3.
What are the key properties of 2-(3-ethyl-4-piperidin-4-ylpiperazin-1-yl)-3-methylpyrido[2,3-d]pyrimidin-4-one?
2-(3-ethyl-4-piperidin-4-ylpiperazin-1-yl)-3-methylpyrido[2,3-d]pyrimidin-4-one has a molecular weight of 356.47 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-piperidin-4-ylpiperazin-1-yl)-3-methylpyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 77398088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).