2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(trifluoromethyl)phenyl]acetic acid

C19H24F3NO5 — CID 18700142

IUPAC2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(trifluoromethyl)phenyl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(CC(=O)O)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H24F3NO5/c1-18(2,3)28-17(26)23-8-6-13(7-9-23)27-14-5-4-12(10-16(24)25)15(11-14)19(20,21)22/h4-5,11,13H,6-10H2,1-3H3,(H,24,25)
InChIKeyCWEPDLJZDMVXFX-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.11
Rot. Bonds4

About 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(trifluoromethyl)phenyl]acetic acid

2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(trifluoromethyl)phenyl]acetic acid (PubChem CID 18700142) has the molecular formula C19H24F3NO5 and a molecular weight of 403.40 g/mol. Its IUPAC name is 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(trifluoromethyl)phenyl]acetic acid
PubChem CID18700142
Molecular FormulaC19H24F3NO5
Molecular Weight403.40 g/mol
Exact Mass403.16
IUPAC Name2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(trifluoromethyl)phenyl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(CC(=O)O)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H24F3NO5/c1-18(2,3)28-17(26)23-8-6-13(7-9-23)27-14-5-4-12(10-16(24)25)15(11-14)19(20,21)22/h4-5,11,13H,6-10H2,1-3H3,(H,24,25)
InChIKeyCWEPDLJZDMVXFX-UHFFFAOYSA-N
XLogP4.11
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(trifluoromethyl)phenyl]acetic 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

tert-butyl 4-[4-(bromomethyl)-3-(trifluoromethyl)phenoxy]piperidine-1-carboxylate
CID 18700084
2-[2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]acetic acid
CID 18914169
tert-butyl 3-[4-amino-3-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylate
CID 166611413
2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
CID 10545874
tert-butyl 4-(4-chloro-3-fluorophenoxy)piperidine-1-carboxylate
CID 24902450
tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate
CID 22632413
tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate
CID 18542772
tert-butyl 4-[3-[(1R)-1-hydroxyethyl]phenoxy]piperidine-1-carboxylate
CID 124636293
tert-butyl 4-(4-bromosulfanylphenoxy)piperidine-1-carboxylate
CID 18700263
tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate
CID 129294526
tert-butyl 4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carboxylate
CID 11212544
methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-1H-indole-2-carboxylate
CID 53487119

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(trifluoromethyl)phenyl]acetic acid (CID 18700142) is 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(trifluoromethyl)phenyl]acetic acid is CC(C)(C)OC(=O)N1CCC(Oc2ccc(CC(=O)O)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is CWEPDLJZDMVXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO5/c1-18(2,3)28-17(26)23-8-6-13(7-9-23)27-14-5-4-12(10-16(24)25)15(11-14)19(20,21)22/h4-5,11,13H,6-10H2,1-3H3,(H,24,25).
What are the key properties of 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(trifluoromethyl)phenyl]acetic acid?
2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 403.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 18700142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).