6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one

C18H21N3O3 — CID 72863190

IUPAC6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2ncc(C(=O)N3CCCC4(CCOC4)C3)c(=O)n12
InChIInChI=1S/C18H21N3O3/c1-13-4-2-5-15-19-10-14(17(23)21(13)15)16(22)20-8-3-6-18(11-20)7-9-24-12-18/h2,4-5,10H,3,6-9,11-12H2,1H3
InChIKeyLCFMTRDCXWXMDG-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.65
Rot. Bonds1

About 6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one

6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 72863190) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID72863190
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2ncc(C(=O)N3CCCC4(CCOC4)C3)c(=O)n12
InChIInChI=1S/C18H21N3O3/c1-13-4-2-5-15-19-10-14(17(23)21(13)15)16(22)20-8-3-6-18(11-20)7-9-24-12-18/h2,4-5,10H,3,6-9,11-12H2,1H3
InChIKeyLCFMTRDCXWXMDG-UHFFFAOYSA-N
XLogP1.65
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

(3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 128651253
2-oxa-9-azaspiro[4.5]decan-9-yl-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 72937033
3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one
CID 72876722
[3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97118767
[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 97148065
6-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 118775695
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97110759
[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-[5-(pyrimidin-2-ylsulfanylmethyl)furan-2-yl]methanone
CID 97208911
(5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 71971550
(E)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-3-phenylprop-2-en-1-one
CID 72880194
(E)-1-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]-3-phenylprop-2-en-1-one
CID 97128224
(5-benzyl-2-pyridinyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
CID 166265700

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 72863190) is 6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one is Cc1cccc2ncc(C(=O)N3CCCC4(CCOC4)C3)c(=O)n12.
What is the InChIKey of 6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LCFMTRDCXWXMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-4-2-5-15-19-10-14(17(23)21(13)15)16(22)20-8-3-6-18(11-20)7-9-24-12-18/h2,4-5,10H,3,6-9,11-12H2,1H3.
What are the key properties of 6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 327.38 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 72863190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).