formic acid;9-methyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one

C17H23N3O5 — CID 166598201

IUPACformic acid;9-methyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2C(=O)Cn2ccccc2=O)C1=O.O=CO
InChIInChI=1S/C16H21N3O3.CH2O2/c1-17-9-4-7-16(15(17)22)8-5-11-19(16)14(21)12-18-10-3-2-6-13(18)20;2-1-3/h2-3,6,10H,4-5,7-9,11-12H2,1H3;1H,(H,2,3)
InChIKeyCGGISAHEDJZWBC-UHFFFAOYSA-N
MW349.39 g/mol
LogP0.16
Rot. Bonds2

About formic acid;9-methyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one

formic acid;9-methyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 166598201) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is formic acid;9-methyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Nameformic acid;9-methyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID166598201
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Nameformic acid;9-methyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2C(=O)Cn2ccccc2=O)C1=O.O=CO
InChIInChI=1S/C16H21N3O3.CH2O2/c1-17-9-4-7-16(15(17)22)8-5-11-19(16)14(21)12-18-10-3-2-6-13(18)20;2-1-3/h2-3,6,10H,4-5,7-9,11-12H2,1H3;1H,(H,2,3)
InChIKeyCGGISAHEDJZWBC-UHFFFAOYSA-N
XLogP0.16
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-diphenylpropanoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162636157
9-methyl-1-(2-phenoxyacetyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164698220
9-methyl-1-(3-methyl-3-phenylbutanoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162631432
9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635147
1-[2-(3-methoxyphenyl)acetyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162627422
1-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163316192
9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162633347
1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162629447
1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one
CID 113343955
3-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboxylic acid
CID 82907174
1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 163309328
9-(4-hydroxycyclohexyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162636600

Frequently Asked Questions

What is the IUPAC name of formic acid;9-methyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of formic acid;9-methyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one (CID 166598201) is formic acid;9-methyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for formic acid;9-methyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for formic acid;9-methyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one is CN1CCCC2(CCCN2C(=O)Cn2ccccc2=O)C1=O.O=CO.
What is the InChIKey of formic acid;9-methyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is CGGISAHEDJZWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.CH2O2/c1-17-9-4-7-16(15(17)22)8-5-11-19(16)14(21)12-18-10-3-2-6-13(18)20;2-1-3/h2-3,6,10H,4-5,7-9,11-12H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;9-methyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
formic acid;9-methyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 349.39 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;9-methyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 166598201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).