8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C16H22N4O — CID 63643365

IUPAC8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CN(C)C3CCCNC3)nc2c1
InChIInChI=1S/C16H22N4O/c1-12-5-7-20-15(8-12)18-13(9-16(20)21)11-19(2)14-4-3-6-17-10-14/h5,7-9,14,17H,3-4,6,10-11H2,1-2H3
InChIKeyIAXDQWGZZSSORP-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.19
Rot. Bonds3

About 8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 63643365) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID63643365
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CN(C)C3CCCNC3)nc2c1
InChIInChI=1S/C16H22N4O/c1-12-5-7-20-15(8-12)18-13(9-16(20)21)11-19(2)14-4-3-6-17-10-14/h5,7-9,14,17H,3-4,6,10-11H2,1-2H3
InChIKeyIAXDQWGZZSSORP-UHFFFAOYSA-N
XLogP1.19
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]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 8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 63643365) is 8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)cc(CN(C)C3CCCNC3)nc2c1.
What is the InChIKey of 8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IAXDQWGZZSSORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-5-7-20-15(8-12)18-13(9-16(20)21)11-19(2)14-4-3-6-17-10-14/h5,7-9,14,17H,3-4,6,10-11H2,1-2H3.
What are the key properties of 8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 286.38 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 63643365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).