3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one

C19H23N3O4 — CID 163308004

IUPAC3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC1(O)CCOC2(CCN(C(=O)c3cnc4ccccn4c3=O)CC2)C1
InChIInChI=1S/C19H23N3O4/c1-18(25)7-11-26-19(13-18)5-9-21(10-6-19)16(23)14-12-20-15-4-2-3-8-22(15)17(14)24/h2-4,8,12,25H,5-7,9-11,13H2,1H3
InChIKeyGRGWUAGJCYASFG-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.23
Rot. Bonds1

About 3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one

3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 163308004) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID163308004
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC1(O)CCOC2(CCN(C(=O)c3cnc4ccccn4c3=O)CC2)C1
InChIInChI=1S/C19H23N3O4/c1-18(25)7-11-26-19(13-18)5-9-21(10-6-19)16(23)14-12-20-15-4-2-3-8-22(15)17(14)24/h2-4,8,12,25H,5-7,9-11,13H2,1H3
InChIKeyGRGWUAGJCYASFG-UHFFFAOYSA-N
XLogP1.23
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-1,9-dioxaspiro[5.5]undec-4-yl-9-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 70762801
Mbl-IN-3
CID 72922413
9-hydroxy-3-[(5-methoxy-1-oxa-9-azaspiro[5.5]undec-9-yl)carbonyl]-4H-pyrido[1,2-a]pyrimidin-4-one
CID 74243671
N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 96401563
N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 96401564
9-hydroxy-3-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 97206401
9-hydroxy-3-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 97206402
9-hydroxy-3-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 97932782
9-hydroxy-3-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 97932783
3-(1-oxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 132414682
3-{[rel-(2R,4R)-4-hydroxy-2-isopropyl-1-oxa-9-azaspiro[5.5]undec-9-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 154566229
3-{[rel-(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propyl-1-piperidinyl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 155495267

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 163308004) is 3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one is CC1(O)CCOC2(CCN(C(=O)c3cnc4ccccn4c3=O)CC2)C1.
What is the InChIKey of 3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GRGWUAGJCYASFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-18(25)7-11-26-19(13-18)5-9-21(10-6-19)16(23)14-12-20-15-4-2-3-8-22(15)17(14)24/h2-4,8,12,25H,5-7,9-11,13H2,1H3.
What are the key properties of 3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 357.41 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 163308004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).