4-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-4-oxobutanenitrile

C22H37N3O — CID 118662443

IUPAC4-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-4-oxobutanenitrile
SMILESCN(C)C1(C2CCCC2)CCC2(CCN(C(=O)CC(C)(C)C#N)C2)CC1
InChIInChI=1S/C22H37N3O/c1-20(2,16-23)15-19(26)25-14-13-21(17-25)9-11-22(12-10-21,24(3)4)18-7-5-6-8-18/h18H,5-15,17H2,1-4H3
InChIKeyCBKBRTLLCOPBNO-UHFFFAOYSA-N
MW359.56 g/mol
LogP4.21
Rot. Bonds4

About 4-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-4-oxobutanenitrile

4-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-4-oxobutanenitrile (PubChem CID 118662443) has the molecular formula C22H37N3O and a molecular weight of 359.56 g/mol. Its IUPAC name is 4-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-4-oxobutanenitrile.

Molecular Properties

Compound Name4-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-4-oxobutanenitrile
PubChem CID118662443
Molecular FormulaC22H37N3O
Molecular Weight359.56 g/mol
Exact Mass359.29
IUPAC Name4-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-4-oxobutanenitrile
SMILESCN(C)C1(C2CCCC2)CCC2(CCN(C(=O)CC(C)(C)C#N)C2)CC1
InChIInChI=1S/C22H37N3O/c1-20(2,16-23)15-19(26)25-14-13-21(17-25)9-11-22(12-10-21,24(3)4)18-7-5-6-8-18/h18H,5-15,17H2,1-4H3
InChIKeyCBKBRTLLCOPBNO-UHFFFAOYSA-N
XLogP4.21
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-4-oxobutanenitrile?
The IUPAC name of 4-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-4-oxobutanenitrile (CID 118662443) is 4-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-4-oxobutanenitrile.
What is the SMILES notation for 4-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-4-oxobutanenitrile?
The canonical SMILES for 4-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-4-oxobutanenitrile is CN(C)C1(C2CCCC2)CCC2(CCN(C(=O)CC(C)(C)C#N)C2)CC1.
What is the InChIKey of 4-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-4-oxobutanenitrile?
The InChIKey is CBKBRTLLCOPBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O/c1-20(2,16-23)15-19(26)25-14-13-21(17-25)9-11-22(12-10-21,24(3)4)18-7-5-6-8-18/h18H,5-15,17H2,1-4H3.
What are the key properties of 4-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-4-oxobutanenitrile?
4-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-4-oxobutanenitrile has a molecular weight of 359.56 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-4-oxobutanenitrile is sourced from PubChem (CID 118662443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).