6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one

C16H20N4O3 — CID 165398615

IUPAC6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOC1(c2cc3cncnc3n(C)c2=O)CCN(C(C)=O)CC1
InChIInChI=1S/C16H20N4O3/c1-11(21)20-6-4-16(23-3,5-7-20)13-8-12-9-17-10-18-14(12)19(2)15(13)22/h8-10H,4-7H2,1-3H3
InChIKeyRTOCUSBAOOJOJM-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.81
Rot. Bonds2

About 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one

6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 165398615) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID165398615
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOC1(c2cc3cncnc3n(C)c2=O)CCN(C(C)=O)CC1
InChIInChI=1S/C16H20N4O3/c1-11(21)20-6-4-16(23-3,5-7-20)13-8-12-9-17-10-18-14(12)19(2)15(13)22/h8-10H,4-7H2,1-3H3
InChIKeyRTOCUSBAOOJOJM-UHFFFAOYSA-N
XLogP0.81
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-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 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 165398615) is 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one is COC1(c2cc3cncnc3n(C)c2=O)CCN(C(C)=O)CC1.
What is the InChIKey of 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RTOCUSBAOOJOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11(21)20-6-4-16(23-3,5-7-20)13-8-12-9-17-10-18-14(12)19(2)15(13)22/h8-10H,4-7H2,1-3H3.
What are the key properties of 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 316.36 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 165398615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).