9-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C17H23N3O4 — CID 162631980

IUPAC9-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(=O)n1CCC(=O)N1CCC2(CC1)CNC(=O)CO2
InChIInChI=1S/C17H23N3O4/c1-13-3-2-4-16(23)20(13)8-5-15(22)19-9-6-17(7-10-19)12-18-14(21)11-24-17/h2-4H,5-12H2,1H3,(H,18,21)
InChIKeyJFVFRNKIRVPQNE-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.05
Rot. Bonds3

About 9-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 162631980) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 9-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID162631980
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name9-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(=O)n1CCC(=O)N1CCC2(CC1)CNC(=O)CO2
InChIInChI=1S/C17H23N3O4/c1-13-3-2-4-16(23)20(13)8-5-15(22)19-9-6-17(7-10-19)12-18-14(21)11-24-17/h2-4H,5-12H2,1H3,(H,18,21)
InChIKeyJFVFRNKIRVPQNE-UHFFFAOYSA-N
XLogP0.05
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 163317293
9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162629408
1'-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]spiro[2-oxa-10-azatricyclo[12.3.1.13,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-12,4'-piperidine]-11-one
CID 131927781
1-[3-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
CID 131936203
9-[4-(4-methylphenyl)-4-oxobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20522040
9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162638587
9-(1-oxo-2,3-dihydroindene-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162630313
1-[3-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
CID 133121133
2-[2-oxo-2-(8-oxo-6-oxa-2,9-diazaspiro[4.5]decan-2-yl)ethoxy]benzamide
CID 138810701
N-(2-ethoxyphenyl)-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 138387517
9-(1,3-benzothiazole-7-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162637356
6-methyl-1-(4-oxopentyl)pyridin-2-one
CID 62023067

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 162631980) is 9-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1cccc(=O)n1CCC(=O)N1CCC2(CC1)CNC(=O)CO2.
What is the InChIKey of 9-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JFVFRNKIRVPQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-13-3-2-4-16(23)20(13)8-5-15(22)19-9-6-17(7-10-19)12-18-14(21)11-24-17/h2-4H,5-12H2,1H3,(H,18,21).
What are the key properties of 9-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 333.39 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 162631980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).