9-hydroxy-3-(1-oxa-9-azaspiro[4.6]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one

C18H21N3O4 — CID 74237747

IUPAC9-hydroxy-3-(1-oxa-9-azaspiro[4.6]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2c(O)cccn2c1=O)N1CCCC2(CCCO2)CC1
InChIInChI=1S/C18H21N3O4/c22-14-4-1-9-21-15(14)19-12-13(17(21)24)16(23)20-8-2-5-18(7-10-20)6-3-11-25-18/h1,4,9,12,22H,2-3,5-8,10-11H2
InChIKeyGFWGWXGXHCHMDT-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.58
Rot. Bonds1

About 9-hydroxy-3-(1-oxa-9-azaspiro[4.6]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-3-(1-oxa-9-azaspiro[4.6]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 74237747) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 9-hydroxy-3-(1-oxa-9-azaspiro[4.6]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-3-(1-oxa-9-azaspiro[4.6]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID74237747
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name9-hydroxy-3-(1-oxa-9-azaspiro[4.6]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2c(O)cccn2c1=O)N1CCCC2(CCCO2)CC1
InChIInChI=1S/C18H21N3O4/c22-14-4-1-9-21-15(14)19-12-13(17(21)24)16(23)20-8-2-5-18(7-10-20)6-3-11-25-18/h1,4,9,12,22H,2-3,5-8,10-11H2
InChIKeyGFWGWXGXHCHMDT-UHFFFAOYSA-N
XLogP1.58
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 74243671
CID 74243671
CID 97902518
CID 97902518
CID 97902519
CID 97902519
CID 97932782
CID 97932782
CID 97932783
CID 97932783
CID 178282155
CID 178282155

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-(1-oxa-9-azaspiro[4.6]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-3-(1-oxa-9-azaspiro[4.6]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 74237747) is 9-hydroxy-3-(1-oxa-9-azaspiro[4.6]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-3-(1-oxa-9-azaspiro[4.6]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-3-(1-oxa-9-azaspiro[4.6]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2c(O)cccn2c1=O)N1CCCC2(CCCO2)CC1.
What is the InChIKey of 9-hydroxy-3-(1-oxa-9-azaspiro[4.6]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GFWGWXGXHCHMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-14-4-1-9-21-15(14)19-12-13(17(21)24)16(23)20-8-2-5-18(7-10-20)6-3-11-25-18/h1,4,9,12,22H,2-3,5-8,10-11H2.
What are the key properties of 9-hydroxy-3-(1-oxa-9-azaspiro[4.6]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-3-(1-oxa-9-azaspiro[4.6]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 343.38 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-(1-oxa-9-azaspiro[4.6]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 74237747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).