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

C14H25F3N4O — CID 166115518

IUPACN,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCN1CCN(CC(F)(F)F)C2(CCN(C(=O)N(C)C)CC2)C1
InChIInChI=1S/C14H25F3N4O/c1-18(2)12(22)20-6-4-13(5-7-20)10-19(3)8-9-21(13)11-14(15,16)17/h4-11H2,1-3H3
InChIKeyGTUXELWZNQRKCQ-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.31
Rot. Bonds1

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

N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (PubChem CID 166115518) has the molecular formula C14H25F3N4O and a molecular weight of 322.38 g/mol. Its IUPAC name is N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
PubChem CID166115518
Molecular FormulaC14H25F3N4O
Molecular Weight322.38 g/mol
Exact Mass322.20
IUPAC NameN,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCN1CCN(CC(F)(F)F)C2(CCN(C(=O)N(C)C)CC2)C1
InChIInChI=1S/C14H25F3N4O/c1-18(2)12(22)20-6-4-13(5-7-20)10-19(3)8-9-21(13)11-14(15,16)17/h4-11H2,1-3H3
InChIKeyGTUXELWZNQRKCQ-UHFFFAOYSA-N
XLogP1.31
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (CID 166115518) is N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is CN1CCN(CC(F)(F)F)C2(CCN(C(=O)N(C)C)CC2)C1.
What is the InChIKey of N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is GTUXELWZNQRKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4O/c1-18(2)12(22)20-6-4-13(5-7-20)10-19(3)8-9-21(13)11-14(15,16)17/h4-11H2,1-3H3.
What are the key properties of N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 166115518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).