3-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C15H17N3O3 — CID 43421147

IUPAC3-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCCCC1CO
InChIInChI=1S/C15H17N3O3/c19-10-11-5-1-3-7-17(11)14(20)12-9-16-13-6-2-4-8-18(13)15(12)21/h2,4,6,8-9,11,19H,1,3,5,7,10H2
InChIKeyIOEYEFNGRLXQII-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.68
Rot. Bonds2

About 3-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

3-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 43421147) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID43421147
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCCCC1CO
InChIInChI=1S/C15H17N3O3/c19-10-11-5-1-3-7-17(11)14(20)12-9-16-13-6-2-4-8-18(13)15(12)21/h2,4,6,8-9,11,19H,1,3,5,7,10H2
InChIKeyIOEYEFNGRLXQII-UHFFFAOYSA-N
XLogP0.68
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-{[(3-endo)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 131893886
2-[2-(Hydroxymethyl)piperidin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 53353692
2-[2-(Hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 123973052
N-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43394646
3-(3-Hydroxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 43415912
3-(4-Hydroxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 43416124
3-[3-(Hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 43422160
N-(2-hydroxyethyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 43573449
2-[[2-(Hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 45798597
3-[(3-hydroxy-1,4'-bipiperidin-1'-yl)carbonyl]-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 56888942
7-Chloro-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60684698
2-[[2-(Hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 60685088

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 43421147) is 3-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2ccccn2c1=O)N1CCCCC1CO.
What is the InChIKey of 3-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IOEYEFNGRLXQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-10-11-5-1-3-7-17(11)14(20)12-9-16-13-6-2-4-8-18(13)15(12)21/h2,4,6,8-9,11,19H,1,3,5,7,10H2.
What are the key properties of 3-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 287.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 43421147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).