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

C20H24F3NO3 — CID 136553556

IUPAC4-[3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCCC(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)
InChIKeyCPFVNNSXPAMWQO-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.30
Rot. Bonds3

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

4-[3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 136553556) has the molecular formula C20H24F3NO3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 4-[3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID136553556
Molecular FormulaC20H24F3NO3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name4-[3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCCC(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)
InChIKeyCPFVNNSXPAMWQO-UHFFFAOYSA-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

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Related Compounds

3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid
CID 50742353
cyclopropyl-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 42516872
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 123600972
1-(3-hydroxypyrrolidine-1-carbonyl)-5-[3-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid
CID 58002186
cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97138893
4-[(3S)-3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile
CID 125142966
1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 43080840
3-[1-(thiane-3-carbonyl)piperidin-3-yl]benzoic acid
CID 166317762
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 3049036
oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone
CID 42565887
3-[(3S)-1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidin-3-yl]benzoic acid
CID 97210347

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 136553556) is 4-[3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N2CCCC(c3cccc(C(F)(F)F)c3)C2)CC1.
What is the InChIKey of 4-[3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is CPFVNNSXPAMWQO-UHFFFAOYSA-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).
What are the key properties of 4-[3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
4-[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-[3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 136553556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).