9-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

C16H21N3O — CID 42916697

IUPAC9-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCCCC3C)nc12
InChIInChI=1S/C16H21N3O/c1-12-6-5-9-19-15(20)10-14(17-16(12)19)11-18-8-4-3-7-13(18)2/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3
InChIKeyZBQLZQQDCLZLBP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.38
Rot. Bonds2

About 9-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 42916697) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 9-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID42916697
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name9-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCCCC3C)nc12
InChIInChI=1S/C16H21N3O/c1-12-6-5-9-19-15(20)10-14(17-16(12)19)11-18-8-4-3-7-13(18)2/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3
InChIKeyZBQLZQQDCLZLBP-UHFFFAOYSA-N
XLogP2.38
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 42916697) is 9-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN3CCCCC3C)nc12.
What is the InChIKey of 9-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZBQLZQQDCLZLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-6-5-9-19-15(20)10-14(17-16(12)19)11-18-8-4-3-7-13(18)2/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3.
What are the key properties of 9-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 271.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42916697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).