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

C15H17N3O3 — CID 43422160

IUPAC3-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCCC(CO)C1
InChIInChI=1S/C15H17N3O3/c19-10-11-4-3-6-17(9-11)14(20)12-8-16-13-5-1-2-7-18(13)15(12)21/h1-2,5,7-8,11,19H,3-4,6,9-10H2
InChIKeyRQWZJYSEQGEUHF-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.54
Rot. Bonds2

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

3-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 43422160) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID43422160
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCCC(CO)C1
InChIInChI=1S/C15H17N3O3/c19-10-11-4-3-6-17(9-11)14(20)12-8-16-13-5-1-2-7-18(13)15(12)21/h1-2,5,7-8,11,19H,3-4,6,9-10H2
InChIKeyRQWZJYSEQGEUHF-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(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-(3,5-Dimethylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 24660068
2-[3-Fluoro-3-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 137845676
3-[3-[(Dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 168453126
3-(3-Methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 16621167
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-[2-(Hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 43421147
7-Chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 47014303
2-[[3-(Hydroxymethyl)piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 60638835
2-[[3-(Hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 60647431
2-[[3-(Hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672389
7-Chloro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672390

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 43422160) is 3-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2ccccn2c1=O)N1CCCC(CO)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RQWZJYSEQGEUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-10-11-4-3-6-17(9-11)14(20)12-8-16-13-5-1-2-7-18(13)15(12)21/h1-2,5,7-8,11,19H,3-4,6,9-10H2.
What are the key properties of 3-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 287.32 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 43422160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).