9-methyl-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one

C14H17N3O — CID 115054756

IUPAC9-methyl-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(C3CCCCN3)nc12
InChIInChI=1S/C14H17N3O/c1-10-5-4-8-17-13(18)9-12(16-14(10)17)11-6-2-3-7-15-11/h4-5,8-9,11,15H,2-3,6-7H2,1H3
InChIKeyUIVRRWMQNPJEGK-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.82
Rot. Bonds1

About 9-methyl-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one

9-methyl-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054756) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 9-methyl-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID115054756
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name9-methyl-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(C3CCCCN3)nc12
InChIInChI=1S/C14H17N3O/c1-10-5-4-8-17-13(18)9-12(16-14(10)17)11-6-2-3-7-15-11/h4-5,8-9,11,15H,2-3,6-7H2,1H3
InChIKeyUIVRRWMQNPJEGK-UHFFFAOYSA-N
XLogP1.82
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-Ethyl-9-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740549
3-(1-Fluoroethyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740551
9-Fluoro-2-piperidin-4-yl-3-propylpyrido[1,2-a]pyrimidin-4-one
CID 89741706
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-[(3E)-4-fluoro-5-prop-1-en-2-yliminopenta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one
CID 134558955
2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-fluoro-6-methylidene-3-pyridinyl]-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 142511310
9-methyl-3-[2-[(2S)-piperidin-2-yl]ethylamino]-7-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 156321914
2-Methyl-3-(2-piperazin-1-ylethyl)-pyrido[1,2-a]pyrimidin-4-one
CID 123531699
2-Pyrrolidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115052042
2-Piperidin-4-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115053366
2-Piperidin-2-yl-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115053368

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one (CID 115054756) is 9-methyl-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(C3CCCCN3)nc12.
What is the InChIKey of 9-methyl-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UIVRRWMQNPJEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-5-4-8-17-13(18)9-12(16-14(10)17)11-6-2-3-7-15-11/h4-5,8-9,11,15H,2-3,6-7H2,1H3.
What are the key properties of 9-methyl-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 243.31 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).