2-benzyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

C23H29N3O2 — CID 70769372

IUPAC2-benzyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1c[nH]c(CN2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)c(C)c1=O
InChIInChI=1S/C23H29N3O2/c1-17-13-24-20(18(2)22(17)28)15-25-10-8-23(9-11-25)12-21(27)26(16-23)14-19-6-4-3-5-7-19/h3-7,13H,8-12,14-16H2,1-2H3,(H,24,28)
InChIKeyFLLIJGVHUFKLHJ-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.01
Rot. Bonds4

About 2-benzyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

2-benzyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70769372) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-benzyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-benzyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70769372
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-benzyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1c[nH]c(CN2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)c(C)c1=O
InChIInChI=1S/C23H29N3O2/c1-17-13-24-20(18(2)22(17)28)15-25-10-8-23(9-11-25)12-21(27)26(16-23)14-19-6-4-3-5-7-19/h3-7,13H,8-12,14-16H2,1-2H3,(H,24,28)
InChIKeyFLLIJGVHUFKLHJ-UHFFFAOYSA-N
XLogP3.01
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-3,5-dimethyl-1H-pyridin-4-one;dihydrochloride
CID 154910251
2-[[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 72918722
(4S)-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97191361
2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 70746319
2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70746596
1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 91831653
2-benzyl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-8-carbonitrile
CID 118666320
2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70750695
2-benzyl-9-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70713337
2-benzyl-9-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70756757
2-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 156605323
8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one
CID 72877372

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-benzyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 70769372) is 2-benzyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-benzyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-benzyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one is Cc1c[nH]c(CN2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)c(C)c1=O.
What is the InChIKey of 2-benzyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is FLLIJGVHUFKLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-13-24-20(18(2)22(17)28)15-25-10-8-23(9-11-25)12-21(27)26(16-23)14-19-6-4-3-5-7-19/h3-7,13H,8-12,14-16H2,1-2H3,(H,24,28).
What are the key properties of 2-benzyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
2-benzyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 379.50 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70769372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).