6-methyl-3-[(5R)-2-oxa-9-azaspiro[4.5]decane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C18H21N3O3 — CID 97120123

IUPAC6-methyl-3-[(5R)-2-oxa-9-azaspiro[4.5]decane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2ncc(C(=O)N3CCC[C@@]4(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/t18-/m1/s1
InChIKeyLCFMTRDCXWXMDG-GOSISDBHSA-N
MW327.38 g/mol
LogP1.65
Rot. Bonds1

About 6-methyl-3-[(5R)-2-oxa-9-azaspiro[4.5]decane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one

6-methyl-3-[(5R)-2-oxa-9-azaspiro[4.5]decane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 97120123) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-methyl-3-[(5R)-2-oxa-9-azaspiro[4.5]decane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[(5R)-2-oxa-9-azaspiro[4.5]decane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID97120123
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name6-methyl-3-[(5R)-2-oxa-9-azaspiro[4.5]decane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2ncc(C(=O)N3CCC[C@@]4(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/t18-/m1/s1
InChIKeyLCFMTRDCXWXMDG-GOSISDBHSA-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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(5R)-2-oxa-9-azaspiro[4.5]decane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[(5R)-2-oxa-9-azaspiro[4.5]decane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 97120123) is 6-methyl-3-[(5R)-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-[(5R)-2-oxa-9-azaspiro[4.5]decane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[(5R)-2-oxa-9-azaspiro[4.5]decane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccc2ncc(C(=O)N3CCC[C@@]4(CCOC4)C3)c(=O)n12.
What is the InChIKey of 6-methyl-3-[(5R)-2-oxa-9-azaspiro[4.5]decane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LCFMTRDCXWXMDG-GOSISDBHSA-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/t18-/m1/s1.
What are the key properties of 6-methyl-3-[(5R)-2-oxa-9-azaspiro[4.5]decane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
6-methyl-3-[(5R)-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-[(5R)-2-oxa-9-azaspiro[4.5]decane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 97120123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).