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

C18H23N3O4 — CID 70773968

IUPAC9-hydroxy-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOCCCC1CCCCN1C(=O)c1cnc2c(O)cccn2c1=O
InChIInChI=1S/C18H23N3O4/c1-25-11-5-7-13-6-2-3-9-20(13)17(23)14-12-19-16-15(22)8-4-10-21(16)18(14)24/h4,8,10,12-13,22H,2-3,5-7,9,11H2,1H3
InChIKeyWMMZXLOYWVMBCQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.82
Rot. Bonds5

About 9-hydroxy-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 70773968) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 9-hydroxy-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID70773968
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name9-hydroxy-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOCCCC1CCCCN1C(=O)c1cnc2c(O)cccn2c1=O
InChIInChI=1S/C18H23N3O4/c1-25-11-5-7-13-6-2-3-9-20(13)17(23)14-12-19-16-15(22)8-4-10-21(16)18(14)24/h4,8,10,12-13,22H,2-3,5-7,9,11H2,1H3
InChIKeyWMMZXLOYWVMBCQ-UHFFFAOYSA-N
XLogP1.82
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 70773968) is 9-hydroxy-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is COCCCC1CCCCN1C(=O)c1cnc2c(O)cccn2c1=O.
What is the InChIKey of 9-hydroxy-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WMMZXLOYWVMBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-25-11-5-7-13-6-2-3-9-20(13)17(23)14-12-19-16-15(22)8-4-10-21(16)18(14)24/h4,8,10,12-13,22H,2-3,5-7,9,11H2,1H3.
What are the key properties of 9-hydroxy-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 345.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 70773968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).