9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

C14H17N3O2 — CID 115054753

IUPAC9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CC2CCNCC2)nc2c(O)cccn12
InChIInChI=1S/C14H17N3O2/c18-12-2-1-7-17-13(19)9-11(16-14(12)17)8-10-3-5-15-6-4-10/h1-2,7,9-10,15,18H,3-6,8H2
InChIKeyAZJPFTZCROSYIJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.94
Rot. Bonds2

About 9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054753) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115054753
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CC2CCNCC2)nc2c(O)cccn12
InChIInChI=1S/C14H17N3O2/c18-12-2-1-7-17-13(19)9-11(16-14(12)17)8-10-3-5-15-6-4-10/h1-2,7,9-10,15,18H,3-6,8H2
InChIKeyAZJPFTZCROSYIJ-UHFFFAOYSA-N
XLogP0.94
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054752
2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115053369
9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115038189
2-ethyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 59532553
9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 121385010
9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054776
2-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)acetic acid
CID 115031785
9-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115038190
2-(piperidin-4-ylmethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054700
8-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine
CID 105492803
3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridin-8-ol
CID 105489731
2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117136126

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115054753) is 9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CC2CCNCC2)nc2c(O)cccn12.
What is the InChIKey of 9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AZJPFTZCROSYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-12-2-1-7-17-13(19)9-11(16-14(12)17)8-10-3-5-15-6-4-10/h1-2,7,9-10,15,18H,3-6,8H2.
What are the key properties of 9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 259.31 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).