[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-3-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone

C34H33F9N4O4 — CID 127046994

IUPAC[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-3-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C34H33F9N4O4/c1-2-5-27-31(51-23-10-8-21(9-11-23)32(35,36)37,15-4-17-47(27)29(48)24-20-44-16-12-25(24)33(38,39)40)30(49)46-18-13-22(14-19-46)50-28-7-3-6-26(45-28)34(41,42)43/h3,6-12,16,20,22,27H,2,4-5,13-15,17-19H2,1H3/t27-,31+/m1/s1
InChIKeyUUQLQGIZXAZPFU-JOMNFKBKSA-N
MW732.64 g/mol
LogP7.83
Rot. Bonds8

About [(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-3-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone

[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-3-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 127046994) has the molecular formula C34H33F9N4O4 and a molecular weight of 732.64 g/mol. Its IUPAC name is [(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-3-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-3-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID127046994
Molecular FormulaC34H33F9N4O4
Molecular Weight732.64 g/mol
Exact Mass732.24
IUPAC Name[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-3-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C34H33F9N4O4/c1-2-5-27-31(51-23-10-8-21(9-11-23)32(35,36)37,15-4-17-47(27)29(48)24-20-44-16-12-25(24)33(38,39)40)30(49)46-18-13-22(14-19-46)50-28-7-3-6-26(45-28)34(41,42)43/h3,6-12,16,20,22,27H,2,4-5,13-15,17-19H2,1H3/t27-,31+/m1/s1
InChIKeyUUQLQGIZXAZPFU-JOMNFKBKSA-N
XLogP7.83
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.64
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-3-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-3-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-3-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 127046994) is [(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-3-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-3-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-3-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone is CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of [(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-3-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is UUQLQGIZXAZPFU-JOMNFKBKSA-N. The full InChI is InChI=1S/C34H33F9N4O4/c1-2-5-27-31(51-23-10-8-21(9-11-23)32(35,36)37,15-4-17-47(27)29(48)24-20-44-16-12-25(24)33(38,39)40)30(49)46-18-13-22(14-19-46)50-28-7-3-6-26(45-28)34(41,42)43/h3,6-12,16,20,22,27H,2,4-5,13-15,17-19H2,1H3/t27-,31+/m1/s1.
What are the key properties of [(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-3-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone?
[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-3-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 732.64 g/mol, XLogP of 7.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-3-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 127046994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).