2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C17H23N3O — CID 8543385

IUPAC2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN3C[C@H](C)C[C@H](C)C3)cc(=O)n12
InChIInChI=1S/C17H23N3O/c1-12-7-13(2)10-19(9-12)11-15-8-17(21)20-14(3)5-4-6-16(20)18-15/h4-6,8,12-13H,7,9-11H2,1-3H3/t12-,13+
InChIKeyRQAUOPFABLZXPB-BETUJISGSA-N
MW285.39 g/mol
LogP2.48
Rot. Bonds2

About 2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 8543385) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID8543385
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN3C[C@H](C)C[C@H](C)C3)cc(=O)n12
InChIInChI=1S/C17H23N3O/c1-12-7-13(2)10-19(9-12)11-15-8-17(21)20-14(3)5-4-6-16(20)18-15/h4-6,8,12-13H,7,9-11H2,1-3H3/t12-,13+
InChIKeyRQAUOPFABLZXPB-BETUJISGSA-N
XLogP2.48
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-6-methylpyrido[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

Related Compounds

7-Chloro-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18087390
6-Methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42891681
7-Methyl-2-(1-piperidylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 390351
9-Methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 45794754
2-[(4-Methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 45851301
6-Methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47008628
2-[(3,5-Dimethylpiperidino)methyl]-6-methyl-4-pyrimidinol
CID 135485286
2-methyl-3-[(3S)-3-methylpiperidin-1-yl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 170172505
2-Methyl-3-(3-methylpiperidin-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 170172507
7-Methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 45794132
9-Methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 45794765
7-Chloro-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 47010866

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 8543385) is 2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CN3C[C@H](C)C[C@H](C)C3)cc(=O)n12.
What is the InChIKey of 2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RQAUOPFABLZXPB-BETUJISGSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-7-13(2)10-19(9-12)11-15-8-17(21)20-14(3)5-4-6-16(20)18-15/h4-6,8,12-13H,7,9-11H2,1-3H3/t12-,13+.
What are the key properties of 2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 285.39 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8543385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).