2-(4-methylpiperidin-1-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C17H26N4O2 — CID 136711445

IUPAC2-(4-methylpiperidin-1-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CCN(c2nc3c(c(=O)[nH]2)CCN(C(=O)C(C)C)C3)CC1
InChIInChI=1S/C17H26N4O2/c1-11(2)16(23)21-9-6-13-14(10-21)18-17(19-15(13)22)20-7-4-12(3)5-8-20/h11-12H,4-10H2,1-3H3,(H,18,19,22)
InChIKeyCXELHMWZWJGHPJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.55
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-(4-methylpiperidin-1-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136711445) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136711445
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-(4-methylpiperidin-1-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CCN(c2nc3c(c(=O)[nH]2)CCN(C(=O)C(C)C)C3)CC1
InChIInChI=1S/C17H26N4O2/c1-11(2)16(23)21-9-6-13-14(10-21)18-17(19-15(13)22)20-7-4-12(3)5-8-20/h11-12H,4-10H2,1-3H3,(H,18,19,22)
InChIKeyCXELHMWZWJGHPJ-UHFFFAOYSA-N
XLogP1.55
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylpiperidin-1-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-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-(4-methylpiperidin-1-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136711445) is 2-(4-methylpiperidin-1-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC1CCN(c2nc3c(c(=O)[nH]2)CCN(C(=O)C(C)C)C3)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is CXELHMWZWJGHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11(2)16(23)21-9-6-13-14(10-21)18-17(19-15(13)22)20-7-4-12(3)5-8-20/h11-12H,4-10H2,1-3H3,(H,18,19,22).
What are the key properties of 2-(4-methylpiperidin-1-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-(4-methylpiperidin-1-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 318.42 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136711445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).