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

C14H26F2N4O — CID 166115577

IUPAC1-(2,2-difluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCN1CCN(CC(F)F)C2(CCN(C(=O)N(C)C)CC2)C1
InChIInChI=1S/C14H26F2N4O/c1-17(2)13(21)19-6-4-14(5-7-19)11-18(3)8-9-20(14)10-12(15)16/h12H,4-11H2,1-3H3
InChIKeyAQEUYMZXEWIYDG-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.02
Rot. Bonds2

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

1-(2,2-difluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (PubChem CID 166115577) has the molecular formula C14H26F2N4O and a molecular weight of 304.38 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
PubChem CID166115577
Molecular FormulaC14H26F2N4O
Molecular Weight304.38 g/mol
Exact Mass304.21
IUPAC Name1-(2,2-difluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCN1CCN(CC(F)F)C2(CCN(C(=O)N(C)C)CC2)C1
InChIInChI=1S/C14H26F2N4O/c1-17(2)13(21)19-6-4-14(5-7-19)11-18(3)8-9-20(14)10-12(15)16/h12H,4-11H2,1-3H3
InChIKeyAQEUYMZXEWIYDG-UHFFFAOYSA-N
XLogP1.02
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-difluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (CID 166115577) is 1-(2,2-difluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is CN1CCN(CC(F)F)C2(CCN(C(=O)N(C)C)CC2)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is AQEUYMZXEWIYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N4O/c1-17(2)13(21)19-6-4-14(5-7-19)11-18(3)8-9-20(14)10-12(15)16/h12H,4-11H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
1-(2,2-difluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 166115577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).