2-[(3,5-dimethylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

C16H21N3O — CID 17392228

IUPAC2-[(3,5-dimethylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CC(C)CN(Cc2cc(=O)n3ccccc3n2)C1
InChIInChI=1S/C16H21N3O/c1-12-7-13(2)10-18(9-12)11-14-8-16(20)19-6-4-3-5-15(19)17-14/h3-6,8,12-13H,7,9-11H2,1-2H3
InChIKeyVZJZETOSJKTYFU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.17
Rot. Bonds2

About 2-[(3,5-dimethylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(3,5-dimethylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 17392228) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(3,5-dimethylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3,5-dimethylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID17392228
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[(3,5-dimethylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CC(C)CN(Cc2cc(=O)n3ccccc3n2)C1
InChIInChI=1S/C16H21N3O/c1-12-7-13(2)10-18(9-12)11-14-8-16(20)19-6-4-3-5-15(19)17-14/h3-6,8,12-13H,7,9-11H2,1-2H3
InChIKeyVZJZETOSJKTYFU-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 17392228) is 2-[(3,5-dimethylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(3,5-dimethylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(3,5-dimethylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is CC1CC(C)CN(Cc2cc(=O)n3ccccc3n2)C1.
What is the InChIKey of 2-[(3,5-dimethylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VZJZETOSJKTYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-7-13(2)10-18(9-12)11-14-8-16(20)19-6-4-3-5-15(19)17-14/h3-6,8,12-13H,7,9-11H2,1-2H3.
What are the key properties of 2-[(3,5-dimethylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(3,5-dimethylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 271.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 17392228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).