(5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidine-3-carboxylic acid

C24H26F3NO5 — CID 59648064

IUPAC(5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)CC(Oc2ccc(C(F)(F)F)cc2)(C(=O)O)C1
InChIInChI=1S/C24H26F3NO5/c1-22(2,3)33-21(31)28-14-17(16-7-5-4-6-8-16)13-23(15-28,20(29)30)32-19-11-9-18(10-12-19)24(25,26)27/h4-12,17H,13-15H2,1-3H3,(H,29,30)/t17-,23?/m0/s1
InChIKeyQVPKDVBRWDGXPU-NVHKAFQKSA-N
MW465.47 g/mol
LogP5.33
Rot. Bonds4

About (5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidine-3-carboxylic acid

(5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidine-3-carboxylic acid (PubChem CID 59648064) has the molecular formula C24H26F3NO5 and a molecular weight of 465.47 g/mol. Its IUPAC name is (5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidine-3-carboxylic acid
PubChem CID59648064
Molecular FormulaC24H26F3NO5
Molecular Weight465.47 g/mol
Exact Mass465.18
IUPAC Name(5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)CC(Oc2ccc(C(F)(F)F)cc2)(C(=O)O)C1
InChIInChI=1S/C24H26F3NO5/c1-22(2,3)33-21(31)28-14-17(16-7-5-4-6-8-16)13-23(15-28,20(29)30)32-19-11-9-18(10-12-19)24(25,26)27/h4-12,17H,13-15H2,1-3H3,(H,29,30)/t17-,23?/m0/s1
InChIKeyQVPKDVBRWDGXPU-NVHKAFQKSA-N
XLogP5.33
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.47
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidine-3-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

tert-butyl 6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane-2-carboxylate
CID 156864561
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate
CID 90383956
3-methyl-1-(4-nitrophenoxy)carbonyl-5-[4-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid
CID 90920597
tert-butyl (3R,5S)-3-amino-5-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 99943714
tert-butyl (3aR,5R,6aS)-3a-methyl-5-[[4-(trifluoromethyl)phenyl]methylamino]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 145315931
tert-butyl (3aR,6aS)-2-[4-(trifluoromethyl)phenyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130187356
1-[4-[4-(trifluoromethyl)benzoyl]phenoxy]cyclopropane-1-carboxylic acid
CID 156775962
tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate
CID 59312198
tert-butyl 4-(methylcarbamoyl)-4-phenoxypiperidine-1-carboxylate
CID 118515441
tert-butyl 4-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 156786565
tert-butyl 3-phenylpyrrolidine-1-carboxylate;ethane;3-phenylpyrrolidine
CID 158730195

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidine-3-carboxylic acid?
The IUPAC name of (5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidine-3-carboxylic acid (CID 59648064) is (5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidine-3-carboxylic acid.
What is the SMILES notation for (5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidine-3-carboxylic acid?
The canonical SMILES for (5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidine-3-carboxylic acid is CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)CC(Oc2ccc(C(F)(F)F)cc2)(C(=O)O)C1.
What is the InChIKey of (5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidine-3-carboxylic acid?
The InChIKey is QVPKDVBRWDGXPU-NVHKAFQKSA-N. The full InChI is InChI=1S/C24H26F3NO5/c1-22(2,3)33-21(31)28-14-17(16-7-5-4-6-8-16)13-23(15-28,20(29)30)32-19-11-9-18(10-12-19)24(25,26)27/h4-12,17H,13-15H2,1-3H3,(H,29,30)/t17-,23?/m0/s1.
What are the key properties of (5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidine-3-carboxylic acid?
(5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidine-3-carboxylic acid has a molecular weight of 465.47 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidine-3-carboxylic acid is sourced from PubChem (CID 59648064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).