3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one

C22H27N3O2 — CID 166199217

IUPAC3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCC3(CCN(Cc4ccccc4)C3)C2)c(=O)[nH]1
InChIInChI=1S/C22H27N3O2/c1-16-12-17(2)23-20(26)19(16)21(27)25-11-9-22(15-25)8-10-24(14-22)13-18-6-4-3-5-7-18/h3-7,12H,8-11,13-15H2,1-2H3,(H,23,26)
InChIKeyKVBGYNYUBKMWDK-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.73
Rot. Bonds3

About 3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one

3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 166199217) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one
PubChem CID166199217
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCC3(CCN(Cc4ccccc4)C3)C2)c(=O)[nH]1
InChIInChI=1S/C22H27N3O2/c1-16-12-17(2)23-20(26)19(16)21(27)25-11-9-22(15-25)8-10-24(14-22)13-18-6-4-3-5-7-18/h3-7,12H,8-11,13-15H2,1-2H3,(H,23,26)
InChIKeyKVBGYNYUBKMWDK-UHFFFAOYSA-N
XLogP2.73
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one with MolForge

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Related Compounds

3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 26395243
5-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-3,3-dimethyl-1H-indol-2-one
CID 138998945
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone
CID 138035435
5-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethylpyran-2-one
CID 45224502
3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 75375735
1-benzyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 86878555
5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid
CID 166254868
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 166199211
2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 127685633
3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 163306352
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838

Frequently Asked Questions

What is the IUPAC name of 3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one (CID 166199217) is 3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(C(=O)N2CCC3(CCN(Cc4ccccc4)C3)C2)c(=O)[nH]1.
What is the InChIKey of 3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is KVBGYNYUBKMWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-12-17(2)23-20(26)19(16)21(27)25-11-9-22(15-25)8-10-24(14-22)13-18-6-4-3-5-7-18/h3-7,12H,8-11,13-15H2,1-2H3,(H,23,26).
What are the key properties of 3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one?
3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 365.48 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 166199217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).