6-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

C16H21N3O — CID 42891681

IUPAC6-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN3CCCC(C)C3)cc(=O)n12
InChIInChI=1S/C16H21N3O/c1-12-5-4-8-18(10-12)11-14-9-16(20)19-13(2)6-3-7-15(19)17-14/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3
InChIKeyQNFQTPXYARNJMP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.23
Rot. Bonds2

About 6-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

6-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 42891681) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID42891681
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN3CCCC(C)C3)cc(=O)n12
InChIInChI=1S/C16H21N3O/c1-12-5-4-8-18(10-12)11-14-9-16(20)19-13(2)6-3-7-15(19)17-14/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3
InChIKeyQNFQTPXYARNJMP-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 42891681) is 6-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CN3CCCC(C)C3)cc(=O)n12.
What is the InChIKey of 6-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QNFQTPXYARNJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-5-4-8-18(10-12)11-14-9-16(20)19-13(2)6-3-7-15(19)17-14/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3.
What are the key properties of 6-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
6-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 271.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42891681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).