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

C15H17N3O3 — CID 60957389

IUPAC3-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCC(CO)CC1
InChIInChI=1S/C15H17N3O3/c19-10-11-4-7-17(8-5-11)14(20)12-9-16-13-3-1-2-6-18(13)15(12)21/h1-3,6,9,11,19H,4-5,7-8,10H2
InChIKeyVJWPRXIEGPDORW-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.54
Rot. Bonds2

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

3-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60957389) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60957389
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCC(CO)CC1
InChIInChI=1S/C15H17N3O3/c19-10-11-4-7-17(8-5-11)14(20)12-9-16-13-3-1-2-6-18(13)15(12)21/h1-3,6,9,11,19H,4-5,7-8,10H2
InChIKeyVJWPRXIEGPDORW-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-[4-(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

2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 794782
3-{[(3R*,4R*)-3-hydroxy-4-(hydroxymethyl)-1-piperidinyl]carbonyl}-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 56907202
9-Methyl-3-(4-methylpiperidine-1-carbonyl)-4H-pyrido[1,2-A]pyrimidin-4-one
CID 53009360
3-(3,5-Dimethylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 24660068
3-{[4-(trifluoromethyl)piperidin-1-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 131916867
3-({3-[(dimethylamino)methyl]-3-hydroxy-1-piperidinyl}carbonyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 56899519
3-[3-[(Dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 168453126
3-(4-Methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 16614680
3-(Piperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 16620883
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 60957389) is 3-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2ccccn2c1=O)N1CCC(CO)CC1.
What is the InChIKey of 3-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VJWPRXIEGPDORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-10-11-4-7-17(8-5-11)14(20)12-9-16-13-3-1-2-6-18(13)15(12)21/h1-3,6,9,11,19H,4-5,7-8,10H2.
What are the key properties of 3-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[4-(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-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60957389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).