4-[(3R)-3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid

C20H24F3NO3 — CID 164641772

IUPAC4-[(3R)-3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C20H24F3NO3/c21-20(22,23)17-5-1-3-15(11-17)16-4-2-10-24(12-16)18(25)13-6-8-14(9-7-13)19(26)27/h1,3,5,11,13-14,16H,2,4,6-10,12H2,(H,26,27)/t13?,14?,16-/m0/s1
InChIKeyCPFVNNSXPAMWQO-XUJLQICISA-N
MW383.41 g/mol
LogP4.30
Rot. Bonds3

About 4-[(3R)-3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid

4-[(3R)-3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 164641772) has the molecular formula C20H24F3NO3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 4-[(3R)-3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3R)-3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID164641772
Molecular FormulaC20H24F3NO3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name4-[(3R)-3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C20H24F3NO3/c21-20(22,23)17-5-1-3-15(11-17)16-4-2-10-24(12-16)18(25)13-6-8-14(9-7-13)19(26)27/h1,3,5,11,13-14,16H,2,4,6-10,12H2,(H,26,27)/t13?,14?,16-/m0/s1
InChIKeyCPFVNNSXPAMWQO-XUJLQICISA-N
XLogP4.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(3R)-3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-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

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3R)-3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 164641772) is 4-[(3R)-3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3R)-3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3R)-3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1.
What is the InChIKey of 4-[(3R)-3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is CPFVNNSXPAMWQO-XUJLQICISA-N. The full InChI is InChI=1S/C20H24F3NO3/c21-20(22,23)17-5-1-3-15(11-17)16-4-2-10-24(12-16)18(25)13-6-8-14(9-7-13)19(26)27/h1,3,5,11,13-14,16H,2,4,6-10,12H2,(H,26,27)/t13?,14?,16-/m0/s1.
What are the key properties of 4-[(3R)-3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
4-[(3R)-3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 383.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 164641772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).