4-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide

C16H25F3N2O — CID 167064700

IUPAC4-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESCN1CCC(C(=O)NC2CCC(C(F)(F)F)CC2)CC12CC2
InChIInChI=1S/C16H25F3N2O/c1-21-9-6-11(10-15(21)7-8-15)14(22)20-13-4-2-12(3-5-13)16(17,18)19/h11-13H,2-10H2,1H3,(H,20,22)
InChIKeyUDBLZXILAJKJKU-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.10
Rot. Bonds2

About 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide

4-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 167064700) has the molecular formula C16H25F3N2O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide
PubChem CID167064700
Molecular FormulaC16H25F3N2O
Molecular Weight318.38 g/mol
Exact Mass318.19
IUPAC Name4-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESCN1CCC(C(=O)NC2CCC(C(F)(F)F)CC2)CC12CC2
InChIInChI=1S/C16H25F3N2O/c1-21-9-6-11(10-15(21)7-8-15)14(22)20-13-4-2-12(3-5-13)16(17,18)19/h11-13H,2-10H2,1H3,(H,20,22)
InChIKeyUDBLZXILAJKJKU-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-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 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide (CID 167064700) is 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide is CN1CCC(C(=O)NC2CCC(C(F)(F)F)CC2)CC12CC2.
What is the InChIKey of 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is UDBLZXILAJKJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2O/c1-21-9-6-11(10-15(21)7-8-15)14(22)20-13-4-2-12(3-5-13)16(17,18)19/h11-13H,2-10H2,1H3,(H,20,22).
What are the key properties of 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide?
4-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 167064700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).