N-(morpholin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C13H21F3N2O2 — CID 103548375

IUPACN-(morpholin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1COCCN1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)11-4-2-1-3-10(11)12(19)18-7-9-8-20-6-5-17-9/h9-11,17H,1-8H2,(H,18,19)
InChIKeyKKFOCKXXHULUQW-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.46
Rot. Bonds3

About N-(morpholin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(morpholin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 103548375) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-(morpholin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(morpholin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID103548375
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-(morpholin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1COCCN1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)11-4-2-1-3-10(11)12(19)18-7-9-8-20-6-5-17-9/h9-11,17H,1-8H2,(H,18,19)
InChIKeyKKFOCKXXHULUQW-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(morpholin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-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 N-(morpholin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(morpholin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 103548375) is N-(morpholin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(morpholin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(morpholin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCC1COCCN1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(morpholin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is KKFOCKXXHULUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)11-4-2-1-3-10(11)12(19)18-7-9-8-20-6-5-17-9/h9-11,17H,1-8H2,(H,18,19).
What are the key properties of N-(morpholin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(morpholin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103548375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).