6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-2-carboxamide

C34H35F6N5O5 — CID 127045924

IUPAC6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-2-carboxamide
SMILESCCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2cccc(C(N)=O)n2)CC1
InChIInChI=1S/C34H35F6N5O5/c1-2-5-27-32(50-23-10-8-21(9-11-23)33(35,36)37,15-4-17-45(27)30(47)24-20-42-16-12-25(24)34(38,39)40)31(48)44-18-13-22(14-19-44)49-28-7-3-6-26(43-28)29(41)46/h3,6-12,16,20,22,27H,2,4-5,13-15,17-19H2,1H3,(H2,41,46)/t27-,32+/m1/s1
InChIKeyROKFGLFVQZCSJL-ZUKKLESISA-N
MW707.67 g/mol
LogP5.91
Rot. Bonds9

About 6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-2-carboxamide

6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-2-carboxamide (PubChem CID 127045924) has the molecular formula C34H35F6N5O5 and a molecular weight of 707.67 g/mol. Its IUPAC name is 6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-2-carboxamide
PubChem CID127045924
Molecular FormulaC34H35F6N5O5
Molecular Weight707.67 g/mol
Exact Mass707.25
IUPAC Name6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-2-carboxamide
SMILESCCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2cccc(C(N)=O)n2)CC1
InChIInChI=1S/C34H35F6N5O5/c1-2-5-27-32(50-23-10-8-21(9-11-23)33(35,36)37,15-4-17-45(27)30(47)24-20-42-16-12-25(24)34(38,39)40)31(48)44-18-13-22(14-19-44)49-28-7-3-6-26(43-28)29(41)46/h3,6-12,16,20,22,27H,2,4-5,13-15,17-19H2,1H3,(H2,41,46)/t27-,32+/m1/s1
InChIKeyROKFGLFVQZCSJL-ZUKKLESISA-N
XLogP5.91
TPSA127.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.67
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-2-carboxamide?
The IUPAC name of 6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-2-carboxamide (CID 127045924) is 6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-2-carboxamide 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(N)=O)n2)CC1.
What is the InChIKey of 6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-2-carboxamide?
The InChIKey is ROKFGLFVQZCSJL-ZUKKLESISA-N. The full InChI is InChI=1S/C34H35F6N5O5/c1-2-5-27-32(50-23-10-8-21(9-11-23)33(35,36)37,15-4-17-45(27)30(47)24-20-42-16-12-25(24)34(38,39)40)31(48)44-18-13-22(14-19-44)49-28-7-3-6-26(43-28)29(41)46/h3,6-12,16,20,22,27H,2,4-5,13-15,17-19H2,1H3,(H2,41,46)/t27-,32+/m1/s1.
What are the key properties of 6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-2-carboxamide?
6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-2-carboxamide has a molecular weight of 707.67 g/mol, XLogP of 5.91, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 127045924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).