2-benzyl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-8-carbonitrile

C19H25N3O — CID 118666320

IUPAC2-benzyl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-8-carbonitrile
SMILESCN(C)C1(C#N)CCC2(CC1)CC(=O)N(Cc1ccccc1)C2
InChIInChI=1S/C19H25N3O/c1-21(2)19(14-20)10-8-18(9-11-19)12-17(23)22(15-18)13-16-6-4-3-5-7-16/h3-7H,8-13,15H2,1-2H3
InChIKeyQAXPMLWRSOPKNE-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.80
Rot. Bonds3

About 2-benzyl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-8-carbonitrile

2-benzyl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-8-carbonitrile (PubChem CID 118666320) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-benzyl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-8-carbonitrile.

Molecular Properties

Compound Name2-benzyl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-8-carbonitrile
PubChem CID118666320
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-benzyl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-8-carbonitrile
SMILESCN(C)C1(C#N)CCC2(CC1)CC(=O)N(Cc1ccccc1)C2
InChIInChI=1S/C19H25N3O/c1-21(2)19(14-20)10-8-18(9-11-19)12-17(23)22(15-18)13-16-6-4-3-5-7-16/h3-7H,8-13,15H2,1-2H3
InChIKeyQAXPMLWRSOPKNE-UHFFFAOYSA-N
XLogP2.80
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-Dimethyl-3,3-diphenylpyrrolidin-2-one
CID 207584
1-[2-[8-(Dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl]cyclobutane-1-carbonitrile
CID 118662189
2-Cyclobutyl-1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethanone
CID 118662460
Spiro-carboxamide scaffold, 12
CID 44143298
1-Benzyl-5-oxo-2-phenylpyrrolidine-2-carbonitrile
CID 3727246
N-Methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)phenylacetamide
CID 190901
N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
8-Dimethylamino-8-phenyl-2-azaspiro[4.5]decan-3-one
CID 118662014
8-Benzyl-2-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one
CID 118662129
1-[2-[8-(Dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethyl]cyclobutane-1-carbonitrile
CID 118662159
1-[8-(Dimethylamino)-8-phenyl-3-azaspiro[4.5]decan-3-yl]-butan-1-one
CID 118662309
1-Benzyl-4-phenylpyrrolidin-2-one
CID 2843346

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-8-carbonitrile?
The IUPAC name of 2-benzyl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-8-carbonitrile (CID 118666320) is 2-benzyl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-8-carbonitrile.
What is the SMILES notation for 2-benzyl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-8-carbonitrile?
The canonical SMILES for 2-benzyl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-8-carbonitrile is CN(C)C1(C#N)CCC2(CC1)CC(=O)N(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-8-carbonitrile?
The InChIKey is QAXPMLWRSOPKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-21(2)19(14-20)10-8-18(9-11-19)12-17(23)22(15-18)13-16-6-4-3-5-7-16/h3-7H,8-13,15H2,1-2H3.
What are the key properties of 2-benzyl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-8-carbonitrile?
2-benzyl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-8-carbonitrile has a molecular weight of 311.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-8-carbonitrile is sourced from PubChem (CID 118666320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).