1-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2-methoxy-2-methylpropan-1-one

C21H38N2O2 — CID 118662198

IUPAC1-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CCC2(CCC(C3CCCC3)(N(C)C)CC2)C1
InChIInChI=1S/C21H38N2O2/c1-19(2,25-5)18(24)23-15-14-20(16-23)10-12-21(13-11-20,22(3)4)17-8-6-7-9-17/h17H,6-16H2,1-5H3
InChIKeyKNBINNXFZPDBDY-UHFFFAOYSA-N
MW350.55 g/mol
LogP3.69
Rot. Bonds4

About 1-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2-methoxy-2-methylpropan-1-one

1-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2-methoxy-2-methylpropan-1-one (PubChem CID 118662198) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 1-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2-methoxy-2-methylpropan-1-one
PubChem CID118662198
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name1-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CCC2(CCC(C3CCCC3)(N(C)C)CC2)C1
InChIInChI=1S/C21H38N2O2/c1-19(2,25-5)18(24)23-15-14-20(16-23)10-12-21(13-11-20,22(3)4)17-8-6-7-9-17/h17H,6-16H2,1-5H3
InChIKeyKNBINNXFZPDBDY-UHFFFAOYSA-N
XLogP3.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2-methoxy-2-methylpropan-1-one with MolForge

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Related Compounds

4-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2,2-dimethyl-4-oxobutanenitrile
CID 118662443
1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 113241011
2-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]benzaldehyde
CID 118666501
tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 68969463
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 103021611
3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2,2-dimethylpropan-1-one
CID 119788804
N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 103028802
1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-3-methoxy-3-methylbutan-1-one
CID 118662087
tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 90426746
1-(2-methoxy-2-methylpropanoyl)piperidine-3-sulfonamide
CID 103710680
2-methoxy-2-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 103021432
8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one
CID 118662010

Frequently Asked Questions

What is the IUPAC name of 1-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2-methoxy-2-methylpropan-1-one (CID 118662198) is 1-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)N1CCC2(CCC(C3CCCC3)(N(C)C)CC2)C1.
What is the InChIKey of 1-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2-methoxy-2-methylpropan-1-one?
The InChIKey is KNBINNXFZPDBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-19(2,25-5)18(24)23-15-14-20(16-23)10-12-21(13-11-20,22(3)4)17-8-6-7-9-17/h17H,6-16H2,1-5H3.
What are the key properties of 1-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2-methoxy-2-methylpropan-1-one?
1-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2-methoxy-2-methylpropan-1-one has a molecular weight of 350.55 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-cyclopentyl-8-(dimethylamino)-2-azaspiro[4.5]decan-2-yl]-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 118662198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).