[4-(trifluoromethyl)phenyl] N-methyl-N-[2-[4-(piperidin-1-ylmethyl)cyclohexyl]ethyl]carbamate

C23H33F3N2O2 — CID 10310116

IUPAC[4-(trifluoromethyl)phenyl] N-methyl-N-[2-[4-(piperidin-1-ylmethyl)cyclohexyl]ethyl]carbamate
SMILESCN(CCC1CCC(CN2CCCCC2)CC1)C(=O)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H33F3N2O2/c1-27(22(29)30-21-11-9-20(10-12-21)23(24,25)26)16-13-18-5-7-19(8-6-18)17-28-14-3-2-4-15-28/h9-12,18-19H,2-8,13-17H2,1H3
InChIKeyASWNKJDQHAJRPI-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.82
Rot. Bonds6

About [4-(trifluoromethyl)phenyl] N-methyl-N-[2-[4-(piperidin-1-ylmethyl)cyclohexyl]ethyl]carbamate

[4-(trifluoromethyl)phenyl] N-methyl-N-[2-[4-(piperidin-1-ylmethyl)cyclohexyl]ethyl]carbamate (PubChem CID 10310116) has the molecular formula C23H33F3N2O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl] N-methyl-N-[2-[4-(piperidin-1-ylmethyl)cyclohexyl]ethyl]carbamate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl] N-methyl-N-[2-[4-(piperidin-1-ylmethyl)cyclohexyl]ethyl]carbamate
PubChem CID10310116
Molecular FormulaC23H33F3N2O2
Molecular Weight426.52 g/mol
Exact Mass426.25
IUPAC Name[4-(trifluoromethyl)phenyl] N-methyl-N-[2-[4-(piperidin-1-ylmethyl)cyclohexyl]ethyl]carbamate
SMILESCN(CCC1CCC(CN2CCCCC2)CC1)C(=O)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H33F3N2O2/c1-27(22(29)30-21-11-9-20(10-12-21)23(24,25)26)16-13-18-5-7-19(8-6-18)17-28-14-3-2-4-15-28/h9-12,18-19H,2-8,13-17H2,1H3
InChIKeyASWNKJDQHAJRPI-UHFFFAOYSA-N
XLogP5.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(trifluoromethyl)phenyl] N-methyl-N-[2-[4-(piperidin-1-ylmethyl)cyclohexyl]ethyl]carbamate 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-(trifluoromethyl)phenyl] N-methyl-N-[2-[4-(piperidin-1-ylmethyl)cyclohexyl]ethyl]carbamate?
The IUPAC name of [4-(trifluoromethyl)phenyl] N-methyl-N-[2-[4-(piperidin-1-ylmethyl)cyclohexyl]ethyl]carbamate (CID 10310116) is [4-(trifluoromethyl)phenyl] N-methyl-N-[2-[4-(piperidin-1-ylmethyl)cyclohexyl]ethyl]carbamate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl] N-methyl-N-[2-[4-(piperidin-1-ylmethyl)cyclohexyl]ethyl]carbamate?
The canonical SMILES for [4-(trifluoromethyl)phenyl] N-methyl-N-[2-[4-(piperidin-1-ylmethyl)cyclohexyl]ethyl]carbamate is CN(CCC1CCC(CN2CCCCC2)CC1)C(=O)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl] N-methyl-N-[2-[4-(piperidin-1-ylmethyl)cyclohexyl]ethyl]carbamate?
The InChIKey is ASWNKJDQHAJRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F3N2O2/c1-27(22(29)30-21-11-9-20(10-12-21)23(24,25)26)16-13-18-5-7-19(8-6-18)17-28-14-3-2-4-15-28/h9-12,18-19H,2-8,13-17H2,1H3.
What are the key properties of [4-(trifluoromethyl)phenyl] N-methyl-N-[2-[4-(piperidin-1-ylmethyl)cyclohexyl]ethyl]carbamate?
[4-(trifluoromethyl)phenyl] N-methyl-N-[2-[4-(piperidin-1-ylmethyl)cyclohexyl]ethyl]carbamate has a molecular weight of 426.52 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl] N-methyl-N-[2-[4-(piperidin-1-ylmethyl)cyclohexyl]ethyl]carbamate is sourced from PubChem (CID 10310116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).