(4-cyclopropyl-3-pyridinyl)-[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]methanone;[(2R,3S)-2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile

C107H117F15N14O15S2 — CID 158528278

About (4-cyclopropyl-3-pyridinyl)-[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]methanone;[(2R,3S)-2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile

(4-cyclopropyl-3-pyridinyl)-[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]methanone;[(2R,3S)-2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile (PubChem CID 158528278) has the molecular formula C107H117F15N14O15S2 and a molecular weight of 2188.30 g/mol. Its IUPAC name is (4-cyclopropyl-3-pyridinyl)-[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]methanone;[(2R,3S)-2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile.

Molecular Properties

• Compound Name: (4-cyclopropyl-3-pyridinyl)-[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]methanone;[(2R,3S)-2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile
• PubChem CID: 158528278
• Molecular Formula: C107H117F15N14O15S2
• Molecular Weight: 2188.30 g/mol
• Exact Mass: 2186.80
• IUPAC Name: (4-cyclopropyl-3-pyridinyl)-[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]methanone;[(2R,3S)-2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile
• SMILES: C=CC[C@H]1N(C(=O)c2cnccc2C2CC2)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCCO)CC1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ccc(C#N)cn2)CC1.COCCOc1ccccc1N1CCN(C(=O)[C@]2(Oc3csc(C(F)(F)F)c3)CCCN(C(=O)c3cnccc3C(F)(F)F)[C@@H]2CCN2CCC[C@H]2CO)CC1
• InChI: InChI=1S/C38H45F6N5O6S.C35H39F3N4O5S.C34H33F6N5O4/c1-53-20-21-54-31-8-3-2-7-30(31)47-16-18-48(19-17-47)35(52)36(55-27-22-33(56-25-27)38(42,43)44)11-5-14-49(32(36)10-15-46-13-4-6-26(46)24-50)34(51)28-23-45-12-9-29(28)37(39,40)41;1-2-6-30-34(47-25-21-31(48-23-25)35(36,37)38,12-5-14-42(30)32(44)27-22-39-13-11-26(27)24-9-10-24)33(45)41-17-15-40(16-18-41)28-7-3-4-8-29(28)46-20-19-43;1-2-4-28-32(49-25-8-6-23(7-9-25)33(35,36)37,14-3-16-45(28)30(46)26-21-42-15-11-27(26)34(38,39)40)31(47)44-17-12-24(13-18-44)48-29-10-5-22(19-41)20-43-29/h2-3,7-9,12,22-23,25-26,32,50H,4-6,10-11,13-21,24H2,1H3;2-4,7-8,11,13,21-24,30,43H,1,5-6,9-10,12,14-20H2;5-11,15,20-21,24,28H,2-4,12-14,16-18H2,1H3/t26-,32+,36-;30-,34+;28-,32+/m011/s1
• InChIKey: HNAZDKKRAXDLQU-TZRVWBDLSA-N
• XLogP: 18.26
• TPSA: 312.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2188.30
LogP ≤ 5	18.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-3-pyridinyl)-[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]methanone;[(2R,3S)-2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile?

The IUPAC name of (4-cyclopropyl-3-pyridinyl)-[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]methanone;[(2R,3S)-2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile (CID 158528278) is (4-cyclopropyl-3-pyridinyl)-[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]methanone;[(2R,3S)-2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile.

What is the SMILES notation for (4-cyclopropyl-3-pyridinyl)-[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]methanone;[(2R,3S)-2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile?

The canonical SMILES for (4-cyclopropyl-3-pyridinyl)-[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]methanone;[(2R,3S)-2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile is C=CC[C@H]1N(C(=O)c2cnccc2C2CC2)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCCO)CC1.CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2ccc(C#N)cn2)CC1.COCCOc1ccccc1N1CCN(C(=O)[C@]2(Oc3csc(C(F)(F)F)c3)CCCN(C(=O)c3cnccc3C(F)(F)F)[C@@H]2CCN2CCC[C@H]2CO)CC1.

What is the InChIKey of (4-cyclopropyl-3-pyridinyl)-[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]methanone;[(2R,3S)-2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile?

The InChIKey is HNAZDKKRAXDLQU-TZRVWBDLSA-N. The full InChI is InChI=1S/C38H45F6N5O6S.C35H39F3N4O5S.C34H33F6N5O4/c1-53-20-21-54-31-8-3-2-7-30(31)47-16-18-48(19-17-47)35(52)36(55-27-22-33(56-25-27)38(42,43)44)11-5-14-49(32(36)10-15-46-13-4-6-26(46)24-50)34(51)28-23-45-12-9-29(28)37(39,40)41;1-2-6-30-34(47-25-21-31(48-23-25)35(36,37)38,12-5-14-42(30)32(44)27-22-39-13-11-26(27)24-9-10-24)33(45)41-17-15-40(16-18-41)28-7-3-4-8-29(28)46-20-19-43;1-2-4-28-32(49-25-8-6-23(7-9-25)33(35,36)37,14-3-16-45(28)30(46)26-21-42-15-11-27(26)34(38,39)40)31(47)44-17-12-24(13-18-44)48-29-10-5-22(19-41)20-43-29/h2-3,7-9,12,22-23,25-26,32,50H,4-6,10-11,13-21,24H2,1H3;2-4,7-8,11,13,21-24,30,43H,1,5-6,9-10,12,14-20H2;5-11,15,20-21,24,28H,2-4,12-14,16-18H2,1H3/t26-,32+,36-;30-,34+;28-,32+/m011/s1.

What are the key properties of (4-cyclopropyl-3-pyridinyl)-[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]methanone;[(2R,3S)-2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile?

(4-cyclopropyl-3-pyridinyl)-[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]methanone;[(2R,3S)-2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile has a molecular weight of 2188.30 g/mol, XLogP of 18.26, 32 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (4-cyclopropyl-3-pyridinyl)-[(2R,3S)-3-[4-[2-(2-hydroxyethoxy)phenyl]piperazine-1-carbonyl]-2-prop-2-enyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]methanone;[(2R,3S)-2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 158528278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).