1-[4-[4-ethoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]-1,3,5-triazinan-2-yl]piperazin-1-yl]ethanone

C18H33F3N6O2 — CID 140573680

IUPAC1-[4-[4-ethoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]-1,3,5-triazinan-2-yl]piperazin-1-yl]ethanone
SMILESCCOC1NC(NC2CCCC(C(F)(F)F)C2)NC(N2CCN(C(C)=O)CC2)N1
InChIInChI=1S/C18H33F3N6O2/c1-3-29-17-24-15(22-14-6-4-5-13(11-14)18(19,20)21)23-16(25-17)27-9-7-26(8-10-27)12(2)28/h13-17,22-25H,3-11H2,1-2H3
InChIKeyUZIRVYLBDIGQCG-UHFFFAOYSA-N
MW422.50 g/mol
LogP0.53
Rot. Bonds5

About 1-[4-[4-ethoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]-1,3,5-triazinan-2-yl]piperazin-1-yl]ethanone

1-[4-[4-ethoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]-1,3,5-triazinan-2-yl]piperazin-1-yl]ethanone (PubChem CID 140573680) has the molecular formula C18H33F3N6O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 1-[4-[4-ethoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]-1,3,5-triazinan-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-ethoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]-1,3,5-triazinan-2-yl]piperazin-1-yl]ethanone
PubChem CID140573680
Molecular FormulaC18H33F3N6O2
Molecular Weight422.50 g/mol
Exact Mass422.26
IUPAC Name1-[4-[4-ethoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]-1,3,5-triazinan-2-yl]piperazin-1-yl]ethanone
SMILESCCOC1NC(NC2CCCC(C(F)(F)F)C2)NC(N2CCN(C(C)=O)CC2)N1
InChIInChI=1S/C18H33F3N6O2/c1-3-29-17-24-15(22-14-6-4-5-13(11-14)18(19,20)21)23-16(25-17)27-9-7-26(8-10-27)12(2)28/h13-17,22-25H,3-11H2,1-2H3
InChIKeyUZIRVYLBDIGQCG-UHFFFAOYSA-N
XLogP0.53
TPSA80.90 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-ethoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]-1,3,5-triazinan-2-yl]piperazin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-(cyclohexylmethyl)piperazin-1-yl]-6-ethoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine
CID 140573606
4-N-(piperidin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine
CID 140573621
CID 140573630
CID 140573630
4-ethoxy-6-(piperidin-4-ylmethoxy)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine
CID 140573648
6-ethoxy-4-N-[1-(piperidin-2-ylmethyl)piperidin-4-yl]-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine
CID 140573683
4-ethoxy-6-[4-(piperidin-3-ylmethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine
CID 140573712
N-[3-[[4-[(4-fluorocyclohexyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazinan-2-yl]amino]cyclohexyl]acetamide
CID 140573717
4-ethoxy-N-[3-(trifluoromethyl)cyclohexyl]-6-[4-[2-(trifluoromethyl)cyclohexyl]piperazin-1-yl]-1,3,5-triazinan-2-amine
CID 140573731
[4-[4-Ethoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]-1,3,5-triazinan-2-yl]piperazin-1-yl]-piperidin-3-ylmethanone
CID 140573738
6-ethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine
CID 140573752
6-ethoxy-4-N-(2-piperidin-2-ylethyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine
CID 140573760
4-[4-(4,6-dimethyl-1,3-diazinan-2-yl)piperazin-1-yl]-6-ethoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine
CID 140573772

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-ethoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]-1,3,5-triazinan-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-ethoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]-1,3,5-triazinan-2-yl]piperazin-1-yl]ethanone (CID 140573680) is 1-[4-[4-ethoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]-1,3,5-triazinan-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-ethoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]-1,3,5-triazinan-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-ethoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]-1,3,5-triazinan-2-yl]piperazin-1-yl]ethanone is CCOC1NC(NC2CCCC(C(F)(F)F)C2)NC(N2CCN(C(C)=O)CC2)N1.
What is the InChIKey of 1-[4-[4-ethoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]-1,3,5-triazinan-2-yl]piperazin-1-yl]ethanone?
The InChIKey is UZIRVYLBDIGQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33F3N6O2/c1-3-29-17-24-15(22-14-6-4-5-13(11-14)18(19,20)21)23-16(25-17)27-9-7-26(8-10-27)12(2)28/h13-17,22-25H,3-11H2,1-2H3.
What are the key properties of 1-[4-[4-ethoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]-1,3,5-triazinan-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-ethoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]-1,3,5-triazinan-2-yl]piperazin-1-yl]ethanone has a molecular weight of 422.50 g/mol, XLogP of 0.53, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-ethoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]-1,3,5-triazinan-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 140573680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).