3-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C18H23N3O4 — CID 155495267

IUPAC3-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC[C@@]1(CO)CN(C(=O)c2cnc3ccccn3c2=O)CC[C@H]1O
InChIInChI=1S/C18H23N3O4/c1-2-7-18(12-22)11-20(9-6-14(18)23)16(24)13-10-19-15-5-3-4-8-21(15)17(13)25/h3-5,8,10,14,22-23H,2,6-7,9,11-12H2,1H3/t14-,18+/m1/s1
InChIKeyFCYHJPBYHPKERX-KDOFPFPSSA-N
MW345.40 g/mol
LogP0.68
Rot. Bonds4

About 3-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

3-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 155495267) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID155495267
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC[C@@]1(CO)CN(C(=O)c2cnc3ccccn3c2=O)CC[C@H]1O
InChIInChI=1S/C18H23N3O4/c1-2-7-18(12-22)11-20(9-6-14(18)23)16(24)13-10-19-15-5-3-4-8-21(15)17(13)25/h3-5,8,10,14,22-23H,2,6-7,9,11-12H2,1H3/t14-,18+/m1/s1
InChIKeyFCYHJPBYHPKERX-KDOFPFPSSA-N
XLogP0.68
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-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-{[(3R*,4R*)-3-hydroxy-4-(hydroxymethyl)-1-piperidinyl]carbonyl}-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 56907202
3-[3-[(Dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 168453126
3-[3-(Hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 43422160
3-{[(1R*,3S*)-1,3-dihydroxy-7-azaspiro[3.5]non-7-yl]carbonyl}-9-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 70715275
3-{[(1R*,3S*)-1-hydroxy-3-methoxy-7-azaspiro[3.5]non-7-yl]carbonyl}-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 70742841
3-{[(3R*,5R*)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]carbonyl}-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 72850484
3-(1-Hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 77851651
3-[3-(1-Hydroxyethyl)piperidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 109963739
3-[3-(Hydroxymethyl)-3-methylpiperidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 109963760
3-[4-Ethyl-4-(hydroxymethyl)piperidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 109963874
N-[(2-hydroxycyclohexyl)methyl]-N,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110003964
3-(4-Hydroxy-3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 114680495

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 155495267) is 3-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is CCC[C@@]1(CO)CN(C(=O)c2cnc3ccccn3c2=O)CC[C@H]1O.
What is the InChIKey of 3-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FCYHJPBYHPKERX-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-2-7-18(12-22)11-20(9-6-14(18)23)16(24)13-10-19-15-5-3-4-8-21(15)17(13)25/h3-5,8,10,14,22-23H,2,6-7,9,11-12H2,1H3/t14-,18+/m1/s1.
What are the key properties of 3-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 345.40 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 155495267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).