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

C14H17N3O — CID 115054671

IUPAC7-methyl-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(C3CCNCC3)cc(=O)n2c1
InChIInChI=1S/C14H17N3O/c1-10-2-3-13-16-12(8-14(18)17(13)9-10)11-4-6-15-7-5-11/h2-3,8-9,11,15H,4-7H2,1H3
InChIKeyPLRYTHLZHUPVDZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.47
Rot. Bonds1

About 7-methyl-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one

7-methyl-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054671) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 7-methyl-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID115054671
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name7-methyl-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(C3CCNCC3)cc(=O)n2c1
InChIInChI=1S/C14H17N3O/c1-10-2-3-13-16-12(8-14(18)17(13)9-10)11-4-6-15-7-5-11/h2-3,8-9,11,15H,4-7H2,1H3
InChIKeyPLRYTHLZHUPVDZ-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
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
7-Methyl-2-(4-methylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 42922110
2-[1-(2-Fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89740350
2-(1-Fluoroethyl)-3-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740546
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
3-(2-Fluoroethyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740553
2-[1-(3-Fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89741373
2-(1-Fluoropropyl)-3-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741703
9-Fluoro-2-piperidin-4-yl-3-propylpyrido[1,2-a]pyrimidin-4-one
CID 89741706
3-(1-Fluoropropyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741709
3-(3-Fluoropropyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741712

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 115054671) is 7-methyl-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(C3CCNCC3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PLRYTHLZHUPVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-2-3-13-16-12(8-14(18)17(13)9-10)11-4-6-15-7-5-11/h2-3,8-9,11,15H,4-7H2,1H3.
What are the key properties of 7-methyl-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 243.31 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).