N-ethyl-1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide

C12H20F3N3O — CID 72703084

IUPACN-ethyl-1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESCCNC(=O)N1CCC2(CCNCC2)C1C(F)(F)F
InChIInChI=1S/C12H20F3N3O/c1-2-17-10(19)18-8-5-11(3-6-16-7-4-11)9(18)12(13,14)15/h9,16H,2-8H2,1H3,(H,17,19)
InChIKeyCTTMOOMMGLGZSV-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.72
Rot. Bonds1

About N-ethyl-1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide

N-ethyl-1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 72703084) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is N-ethyl-1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
PubChem CID72703084
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC NameN-ethyl-1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESCCNC(=O)N1CCC2(CCNCC2)C1C(F)(F)F
InChIInChI=1S/C12H20F3N3O/c1-2-17-10(19)18-8-5-11(3-6-16-7-4-11)9(18)12(13,14)15/h9,16H,2-8H2,1H3,(H,17,19)
InChIKeyCTTMOOMMGLGZSV-UHFFFAOYSA-N
XLogP1.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-{2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl}imidazolidin-2-one
CID 56773866
(5R)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234965
4-cyano-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]piperidine-1-carboxamide
CID 97612394
4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 58394886
piperazin-1-yl-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 67629049
piperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 67629541
5-Methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 67976490
Tert-butyl 2-(ethylcarbamoyl)-1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 72703079
1-(2,2,2-Trifluoroethyl)-1,3,8-triazaspiro[4.5]decan-2-one
CID 83897503
1-Piperidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 84804040
N-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 115661011
2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 116012910

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-ethyl-1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide (CID 72703084) is N-ethyl-1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-ethyl-1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-ethyl-1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide is CCNC(=O)N1CCC2(CCNCC2)C1C(F)(F)F.
What is the InChIKey of N-ethyl-1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is CTTMOOMMGLGZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c1-2-17-10(19)18-8-5-11(3-6-16-7-4-11)9(18)12(13,14)15/h9,16H,2-8H2,1H3,(H,17,19).
What are the key properties of N-ethyl-1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
N-ethyl-1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 72703084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).