2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetamide;1-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propan-2-one

C67H71F12N9O10S2 — CID 91089124

IUPAC2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetamide;1-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propan-2-one
SMILESCCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCC(C)=O)CC1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCC(N)=O)CC1
InChIInChI=1S/C34H36F6N4O5S.C33H35F6N5O5S/c1-3-7-28-32(49-23-18-29(50-21-23)34(38,39)40,11-6-13-44(28)30(46)24-19-41-12-10-25(24)33(35,36)37)31(47)43-16-14-42(15-17-43)26-8-4-5-9-27(26)48-20-22(2)45;1-2-6-26-31(49-21-17-27(50-20-21)33(37,38)39,10-5-12-44(26)29(46)22-18-41-11-9-23(22)32(34,35)36)30(47)43-15-13-42(14-16-43)24-7-3-4-8-25(24)48-19-28(40)45/h4-5,8-10,12,18-19,21,28H,3,6-7,11,13-17,20H2,1-2H3;3-4,7-9,11,17-18,20,26H,2,5-6,10,12-16,19H2,1H3,(H2,40,45)/t28-,32+;26-,31+/m11/s1
InChIKeyRBYGCJVGTYQMJD-FYEAEQOPSA-N
MW1454.47 g/mol
LogP12.34
Rot. Bonds20

About 2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetamide;1-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propan-2-one

2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetamide;1-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propan-2-one (PubChem CID 91089124) has the molecular formula C67H71F12N9O10S2 and a molecular weight of 1454.47 g/mol. Its IUPAC name is 2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetamide;1-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propan-2-one.

Molecular Properties

Compound Name2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetamide;1-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propan-2-one
PubChem CID91089124
Molecular FormulaC67H71F12N9O10S2
Molecular Weight1454.47 g/mol
Exact Mass1453.46
IUPAC Name2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetamide;1-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propan-2-one
SMILESCCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCC(C)=O)CC1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCC(N)=O)CC1
InChIInChI=1S/C34H36F6N4O5S.C33H35F6N5O5S/c1-3-7-28-32(49-23-18-29(50-21-23)34(38,39)40,11-6-13-44(28)30(46)24-19-41-12-10-25(24)33(35,36)37)31(47)43-16-14-42(15-17-43)26-8-4-5-9-27(26)48-20-22(2)45;1-2-6-26-31(49-21-17-27(50-20-21)33(37,38)39,10-5-12-44(26)29(46)22-18-41-11-9-23(22)32(34,35)36)30(47)43-15-13-42(14-16-43)24-7-3-4-8-25(24)48-19-28(40)45/h4-5,8-10,12,18-19,21,28H,3,6-7,11,13-17,20H2,1-2H3;3-4,7-9,11,17-18,20,26H,2,5-6,10,12-16,19H2,1H3,(H2,40,45)/t28-,32+;26-,31+/m11/s1
InChIKeyRBYGCJVGTYQMJD-FYEAEQOPSA-N
XLogP12.34
TPSA210.58 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001454.47
LogP ≤ 512.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetamide;1-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propan-2-one with MolForge

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Related Compounds

{4-[2-(2-Hydroxyethoxy)phenyl]piperazin-1-Yl}[(2r,3s)-2-Propyl-1-{[4-(Trifluoromethyl)pyridin-3-Yl]carbonyl}-3-{[5-(Trifluoromethyl)thiophen-3-Yl]oxy}piperidin-3-Yl]methanone
CID 24968065
4-[2-(4-{[(2r,3s)-2-Propyl-1-{[4-(Trifluoromethyl)pyridin-3-Yl]carbonyl}-3-{[5-(Trifluoromethyl)thiophen-3-Yl]oxy}piperidin-3-Yl]carbonyl}piperazin-1-Yl)phenoxy]butanoic Acid
CID 59648133
2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetic acid
CID 24968408
5-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]pentanoic acid
CID 88975523
2,2-dimethyl-3-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propanoic acid
CID 127049202
[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-3-(4-iodothiophen-2-yl)oxy-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 127050474
[(2R,3S)-3-[4-[2-(2-hydroxy-2-methylpropoxy)phenyl]piperazine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 127050779
2-methyl-2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propanoic acid
CID 127051055
[(2R,3S)-3-[4-chloro-5-(trifluoromethyl)thiophen-3-yl]oxy-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 127052302
[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-3-[2-methyl-5-(trifluoromethyl)thiophen-3-yl]oxy-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 127052303
[(2R,3S)-3-[4-[2-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]piperazine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 127052304
[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-3-[4-methyl-5-(trifluoromethyl)thiophen-3-yl]oxy-2-propylpiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 127052925

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetamide;1-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propan-2-one?
The IUPAC name of 2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetamide;1-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propan-2-one (CID 91089124) is 2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetamide;1-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propan-2-one.
What is the SMILES notation for 2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetamide;1-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propan-2-one?
The canonical SMILES for 2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetamide;1-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propan-2-one is CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCC(C)=O)CC1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCC(N)=O)CC1.
What is the InChIKey of 2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetamide;1-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propan-2-one?
The InChIKey is RBYGCJVGTYQMJD-FYEAEQOPSA-N. The full InChI is InChI=1S/C34H36F6N4O5S.C33H35F6N5O5S/c1-3-7-28-32(49-23-18-29(50-21-23)34(38,39)40,11-6-13-44(28)30(46)24-19-41-12-10-25(24)33(35,36)37)31(47)43-16-14-42(15-17-43)26-8-4-5-9-27(26)48-20-22(2)45;1-2-6-26-31(49-21-17-27(50-20-21)33(37,38)39,10-5-12-44(26)29(46)22-18-41-11-9-23(22)32(34,35)36)30(47)43-15-13-42(14-16-43)24-7-3-4-8-25(24)48-19-28(40)45/h4-5,8-10,12,18-19,21,28H,3,6-7,11,13-17,20H2,1-2H3;3-4,7-9,11,17-18,20,26H,2,5-6,10,12-16,19H2,1H3,(H2,40,45)/t28-,32+;26-,31+/m11/s1.
What are the key properties of 2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetamide;1-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propan-2-one?
2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetamide;1-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propan-2-one has a molecular weight of 1454.47 g/mol, XLogP of 12.34, 20 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]acetamide;1-[2-[4-[(2R,3S)-2-propyl-1-[4-(trifluoromethyl)pyridine-3-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperazin-1-yl]phenoxy]propan-2-one is sourced from PubChem (CID 91089124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).