ethane;1-[2-(4-ethyl-3,3-difluoropiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-2-methylpropan-1-one

C21H38F2N2O — CID 176558164

IUPACethane;1-[2-(4-ethyl-3,3-difluoropiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-2-methylpropan-1-one
SMILESCC.CCC1CCN(C2CC3(CCN(C(=O)C(C)C)CC3)C2)CC1(F)F
InChIInChI=1S/C19H32F2N2O.C2H6/c1-4-15-5-8-23(13-19(15,20)21)16-11-18(12-16)6-9-22(10-7-18)17(24)14(2)3;1-2/h14-16H,4-13H2,1-3H3;1-2H3
InChIKeyJAMDYALAPLHXPR-UHFFFAOYSA-N
MW372.54 g/mol
LogP4.81
Rot. Bonds3

About ethane;1-[2-(4-ethyl-3,3-difluoropiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-2-methylpropan-1-one

ethane;1-[2-(4-ethyl-3,3-difluoropiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-2-methylpropan-1-one (PubChem CID 176558164) has the molecular formula C21H38F2N2O and a molecular weight of 372.54 g/mol. Its IUPAC name is ethane;1-[2-(4-ethyl-3,3-difluoropiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Nameethane;1-[2-(4-ethyl-3,3-difluoropiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-2-methylpropan-1-one
PubChem CID176558164
Molecular FormulaC21H38F2N2O
Molecular Weight372.54 g/mol
Exact Mass372.30
IUPAC Nameethane;1-[2-(4-ethyl-3,3-difluoropiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-2-methylpropan-1-one
SMILESCC.CCC1CCN(C2CC3(CCN(C(=O)C(C)C)CC3)C2)CC1(F)F
InChIInChI=1S/C19H32F2N2O.C2H6/c1-4-15-5-8-23(13-19(15,20)21)16-11-18(12-16)6-9-22(10-7-18)17(24)14(2)3;1-2/h14-16H,4-13H2,1-3H3;1-2H3
InChIKeyJAMDYALAPLHXPR-UHFFFAOYSA-N
XLogP4.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-2-methyl-9-propan-2-yl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97521778
1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 125182142
1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone;hydrochloride
CID 127021233
N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 91511901
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2-difluoropropan-1-one
CID 117617389
1-(6,6-Difluoro-3-azabicyclo[3.1.1]heptan-3-yl)-2,2-dimethylpropan-1-one
CID 126750380
2,2-Dimethyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 126750478
1-[4-[2-Methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidin-1-yl]ethanone
CID 134480791
1-[4-[2,5-Dimethyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidin-1-yl]ethanone
CID 134481106
Ethane;2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 145287073
1-[4-(1,1-Difluoroethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;methane
CID 161081266
3-[1-(2,2-Dimethylpropanoyl)piperidin-4-yl]-2,2-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 169874807

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(4-ethyl-3,3-difluoropiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-2-methylpropan-1-one?
The IUPAC name of ethane;1-[2-(4-ethyl-3,3-difluoropiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-2-methylpropan-1-one (CID 176558164) is ethane;1-[2-(4-ethyl-3,3-difluoropiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-2-methylpropan-1-one.
What is the SMILES notation for ethane;1-[2-(4-ethyl-3,3-difluoropiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-2-methylpropan-1-one?
The canonical SMILES for ethane;1-[2-(4-ethyl-3,3-difluoropiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-2-methylpropan-1-one is CC.CCC1CCN(C2CC3(CCN(C(=O)C(C)C)CC3)C2)CC1(F)F.
What is the InChIKey of ethane;1-[2-(4-ethyl-3,3-difluoropiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-2-methylpropan-1-one?
The InChIKey is JAMDYALAPLHXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F2N2O.C2H6/c1-4-15-5-8-23(13-19(15,20)21)16-11-18(12-16)6-9-22(10-7-18)17(24)14(2)3;1-2/h14-16H,4-13H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[2-(4-ethyl-3,3-difluoropiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-2-methylpropan-1-one?
ethane;1-[2-(4-ethyl-3,3-difluoropiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-2-methylpropan-1-one has a molecular weight of 372.54 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(4-ethyl-3,3-difluoropiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-2-methylpropan-1-one is sourced from PubChem (CID 176558164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).