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

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
8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one
CID 72877372
2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97268865
8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154899933
(4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one
CID 98042329
2-benzyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70769372
2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70750695
4-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylbutanenitrile
CID 118662229
2-benzyl-9-ethylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72929649
2-benzyl-8-(7H-purin-6-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 70730559
2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72838673

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).