ethane;N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

C16H31F3N4O — CID 166115517

IUPACethane;N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCC.CN1CCN(CC(F)(F)F)C2(CCN(C(=O)N(C)C)CC2)C1
InChIInChI=1S/C14H25F3N4O.C2H6/c1-18(2)12(22)20-6-4-13(5-7-20)10-19(3)8-9-21(13)11-14(15,16)17;1-2/h4-11H2,1-3H3;1-2H3
InChIKeyOEBPYSBYCJVNMI-UHFFFAOYSA-N
MW352.45 g/mol
LogP2.34
Rot. Bonds1

About ethane;N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

ethane;N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (PubChem CID 166115517) has the molecular formula C16H31F3N4O and a molecular weight of 352.45 g/mol. Its IUPAC name is ethane;N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Nameethane;N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
PubChem CID166115517
Molecular FormulaC16H31F3N4O
Molecular Weight352.45 g/mol
Exact Mass352.24
IUPAC Nameethane;N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCC.CN1CCN(CC(F)(F)F)C2(CCN(C(=O)N(C)C)CC2)C1
InChIInChI=1S/C14H25F3N4O.C2H6/c1-18(2)12(22)20-6-4-13(5-7-20)10-19(3)8-9-21(13)11-14(15,16)17;1-2/h4-11H2,1-3H3;1-2H3
InChIKeyOEBPYSBYCJVNMI-UHFFFAOYSA-N
XLogP2.34
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-Difluoropiperidin-1-yl)(4-methylpiperazin-1-yl)methanone
CID 121184662
(3,3-Difluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 124200315
(4,4-Difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 124200332
(3,3-Difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 126752735
N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115518
1-(2,2-difluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115577
1-(2-fluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115878
(4-Butan-2-ylpiperazin-1-yl)-(3,3-difluoropiperidin-1-yl)methanone
CID 166828303
1-(2,2-difluoroethyl)-4-ethyl-N,N-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 167202031
1-(2-fluoroethyl)-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168090236
1-(2,2-difluoroethyl)-N,N-dimethyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168983309
1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168983517

Frequently Asked Questions

What is the IUPAC name of ethane;N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of ethane;N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (CID 166115517) is ethane;N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for ethane;N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for ethane;N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is CC.CN1CCN(CC(F)(F)F)C2(CCN(C(=O)N(C)C)CC2)C1.
What is the InChIKey of ethane;N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is OEBPYSBYCJVNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4O.C2H6/c1-18(2)12(22)20-6-4-13(5-7-20)10-19(3)8-9-21(13)11-14(15,16)17;1-2/h4-11H2,1-3H3;1-2H3.
What are the key properties of ethane;N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
ethane;N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 352.45 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 166115517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).