1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one

C17H25N3O2 — CID 155874685

IUPAC1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one
SMILESCN1CCC2(CCCN(C(=O)c3cccn(C)c3=O)C2)CC1
InChIInChI=1S/C17H25N3O2/c1-18-11-7-17(8-12-18)6-4-10-20(13-17)16(22)14-5-3-9-19(2)15(14)21/h3,5,9H,4,6-8,10-13H2,1-2H3
InChIKeyYCRUNJVJJAUIIP-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.33
Rot. Bonds1

About 1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one

1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one (PubChem CID 155874685) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one
PubChem CID155874685
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one
SMILESCN1CCC2(CCCN(C(=O)c3cccn(C)c3=O)C2)CC1
InChIInChI=1S/C17H25N3O2/c1-18-11-7-17(8-12-18)6-4-10-20(13-17)16(22)14-5-3-9-19(2)15(14)21/h3,5,9H,4,6-8,10-13H2,1-2H3
InChIKeyYCRUNJVJJAUIIP-UHFFFAOYSA-N
XLogP1.33
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl)-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155851704
(2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 112534290
[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 95043098
3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129470841
3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-methylpyridin-2-one
CID 131702359
(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone
CID 155876019
3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129493140
1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97407738
3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
CID 110692777
(1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235211
3-[4-(2-hydroxy-4-methylpentanoyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one
CID 134696920
1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 50985596

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one?
The IUPAC name of 1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one (CID 155874685) is 1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one?
The canonical SMILES for 1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one is CN1CCC2(CCCN(C(=O)c3cccn(C)c3=O)C2)CC1.
What is the InChIKey of 1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one?
The InChIKey is YCRUNJVJJAUIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-18-11-7-17(8-12-18)6-4-10-20(13-17)16(22)14-5-3-9-19(2)15(14)21/h3,5,9H,4,6-8,10-13H2,1-2H3.
What are the key properties of 1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one?
1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one has a molecular weight of 303.41 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one is sourced from PubChem (CID 155874685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).