ethyl 1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid

C48H58F6N4O6 — CID 158808959

IUPACethyl 1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid
SMILESCCOC(=O)C1CCN(Cc2ccc3cc(OC4CCC(C(F)(F)F)CC4)ccc3n2)CC1.O=C(O)C1CCN(Cc2ccc3cc(OC4CCC(C(F)(F)F)CC4)ccc3n2)CC1
InChIInChI=1S/C25H31F3N2O3.C23H27F3N2O3/c1-2-32-24(31)17-11-13-30(14-12-17)16-20-6-3-18-15-22(9-10-23(18)29-20)33-21-7-4-19(5-8-21)25(26,27)28;24-23(25,26)17-2-5-19(6-3-17)31-20-7-8-21-16(13-20)1-4-18(27-21)14-28-11-9-15(10-12-28)22(29)30/h3,6,9-10,15,17,19,21H,2,4-5,7-8,11-14,16H2,1H3;1,4,7-8,13,15,17,19H,2-3,5-6,9-12,14H2,(H,29,30)
InChIKeyIUKXSRDYDBQDQK-UHFFFAOYSA-N
MW901.00 g/mol
LogP10.54
Rot. Bonds11

About ethyl 1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid

ethyl 1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 158808959) has the molecular formula C48H58F6N4O6 and a molecular weight of 901.00 g/mol. Its IUPAC name is ethyl 1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Nameethyl 1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid
PubChem CID158808959
Molecular FormulaC48H58F6N4O6
Molecular Weight901.00 g/mol
Exact Mass900.43
IUPAC Nameethyl 1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid
SMILESCCOC(=O)C1CCN(Cc2ccc3cc(OC4CCC(C(F)(F)F)CC4)ccc3n2)CC1.O=C(O)C1CCN(Cc2ccc3cc(OC4CCC(C(F)(F)F)CC4)ccc3n2)CC1
InChIInChI=1S/C25H31F3N2O3.C23H27F3N2O3/c1-2-32-24(31)17-11-13-30(14-12-17)16-20-6-3-18-15-22(9-10-23(18)29-20)33-21-7-4-19(5-8-21)25(26,27)28;24-23(25,26)17-2-5-19(6-3-17)31-20-7-8-21-16(13-20)1-4-18(27-21)14-28-11-9-15(10-12-28)22(29)30/h3,6,9-10,15,17,19,21H,2,4-5,7-8,11-14,16H2,1H3;1,4,7-8,13,15,17,19H,2-3,5-6,9-12,14H2,(H,29,30)
InChIKeyIUKXSRDYDBQDQK-UHFFFAOYSA-N
XLogP10.54
TPSA114.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.00
LogP ≤ 510.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid 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

ethyl 1-[[6-(4-phenylcyclohexyl)oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-(4-phenylcyclohexyl)oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid
CID 160684392
[1-[[6-(4-tert-butylcyclohexyl)oxyquinolin-2-yl]methyl]piperidin-4-yl] hydrogen carbonate
CID 122471506
1-[[6-(4,4-dimethylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylic acid;ethyl 1-[[6-(4,4-dimethylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 158328113
lithium;ethyl 1-[[6-(4-phenylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate;1-[[6-(4-phenylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylic acid;hydroxide
CID 159998730
ethane;ethyl 1-[[5-methyl-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 144562321
ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 118347020
1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylic acid;ethyl 1-[1-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]piperidine-4-carboxylate;methane
CID 159452323
ethyl 1-[[5-iodo-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 90051440
1-[[7-(4-tert-butylcyclohexyl)oxy-1,8-naphthyridin-2-yl]methyl]piperidine-4-carboxylic acid
CID 172739912
ethyl 1-[[5-(difluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 118340415
ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate
CID 141431671
1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-1-yl]methyl]piperidine-4-carboxylic acid
CID 73292615

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of ethyl 1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid (CID 158808959) is ethyl 1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for ethyl 1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for ethyl 1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid is CCOC(=O)C1CCN(Cc2ccc3cc(OC4CCC(C(F)(F)F)CC4)ccc3n2)CC1.O=C(O)C1CCN(Cc2ccc3cc(OC4CCC(C(F)(F)F)CC4)ccc3n2)CC1.
What is the InChIKey of ethyl 1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is IUKXSRDYDBQDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N2O3.C23H27F3N2O3/c1-2-32-24(31)17-11-13-30(14-12-17)16-20-6-3-18-15-22(9-10-23(18)29-20)33-21-7-4-19(5-8-21)25(26,27)28;24-23(25,26)17-2-5-19(6-3-17)31-20-7-8-21-16(13-20)1-4-18(27-21)14-28-11-9-15(10-12-28)22(29)30/h3,6,9-10,15,17,19,21H,2,4-5,7-8,11-14,16H2,1H3;1,4,7-8,13,15,17,19H,2-3,5-6,9-12,14H2,(H,29,30).
What are the key properties of ethyl 1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid?
ethyl 1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 901.00 g/mol, XLogP of 10.54, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylate;1-[[6-[4-(trifluoromethyl)cyclohexyl]oxyquinolin-2-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 158808959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).