1-[(2R,3S)-1-[4-(1,1-difluoroethyl)pyridine-3-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-4-[2-(2-methoxyethoxy)phenyl]piperidine-4-carboxylic acid;[(2R,3S)-3-[4-(hydroxymethyl)-4-[2-(4-hydroxypent-4-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;4-[2-(5-oxohexoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carboxamide

C114H129F17N10O19S3 — CID 159843412

About 1-[(2R,3S)-1-[4-(1,1-difluoroethyl)pyridine-3-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-4-[2-(2-methoxyethoxy)phenyl]piperidine-4-carboxylic acid;[(2R,3S)-3-[4-(hydroxymethyl)-4-[2-(4-hydroxypent-4-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;4-[2-(5-oxohexoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carboxamide

1-[(2R,3S)-1-[4-(1,1-difluoroethyl)pyridine-3-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-4-[2-(2-methoxyethoxy)phenyl]piperidine-4-carboxylic acid;[(2R,3S)-3-[4-(hydroxymethyl)-4-[2-(4-hydroxypent-4-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;4-[2-(5-oxohexoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 159843412) has the molecular formula C114H129F17N10O19S3 and a molecular weight of 2362.50 g/mol. Its IUPAC name is 1-[(2R,3S)-1-[4-(1,1-difluoroethyl)pyridine-3-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-4-[2-(2-methoxyethoxy)phenyl]piperidine-4-carboxylic acid;[(2R,3S)-3-[4-(hydroxymethyl)-4-[2-(4-hydroxypent-4-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;4-[2-(5-oxohexoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(2R,3S)-1-[4-(1,1-difluoroethyl)pyridine-3-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-4-[2-(2-methoxyethoxy)phenyl]piperidine-4-carboxylic acid;[(2R,3S)-3-[4-(hydroxymethyl)-4-[2-(4-hydroxypent-4-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;4-[2-(5-oxohexoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carboxamide
• PubChem CID: 159843412
• Molecular Formula: C114H129F17N10O19S3
• Molecular Weight: 2362.50 g/mol
• Exact Mass: 2360.83
• IUPAC Name: 1-[(2R,3S)-1-[4-(1,1-difluoroethyl)pyridine-3-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-4-[2-(2-methoxyethoxy)phenyl]piperidine-4-carboxylic acid;[(2R,3S)-3-[4-(hydroxymethyl)-4-[2-(4-hydroxypent-4-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;4-[2-(5-oxohexoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carboxamide
• SMILES: C=C(O)CCCOc1ccccc1C1(CO)CCN(C(=O)[C@]2(Oc3csc(C(F)(F)F)c3)CCCN(C(=O)c3cnccc3C(F)(F)F)[C@@H]2CCC)CC1.CCC[C@H]1N(C(=O)c2cnccc2C(C)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCC(C(=O)O)(c2ccccc2OCCOC)CC1.CCC[C@H]1N(C(=O)c2ncccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCC(C(N)=O)(c2ccccc2OCCCCC(C)=O)CC1
• InChI: InChI=1S/C39H44F6N4O6S.C38H43F6N3O6S.C37H42F5N3O7S/c1-3-10-30-37(55-26-23-31(56-24-26)39(43,44)45,15-9-19-49(30)33(51)32-28(38(40,41)42)13-8-18-47-32)35(53)48-20-16-36(17-21-48,34(46)52)27-12-4-5-14-29(27)54-22-7-6-11-25(2)50;1-3-8-31-36(53-26-21-32(54-23-26)38(42,43)44,13-7-17-47(31)33(50)27-22-45-16-12-28(27)37(39,40)41)34(51)46-18-14-35(24-48,15-19-46)29-10-4-5-11-30(29)52-20-6-9-25(2)49;1-4-8-29-36(52-24-21-30(53-23-24)37(40,41)42,12-7-16-45(29)31(46)25-22-43-15-11-26(25)34(2,38)39)32(47)44-17-13-35(14-18-44,33(48)49)27-9-5-6-10-28(27)51-20-19-50-3/h4-5,8,12-14,18,23-24,30H,3,6-7,9-11,15-17,19-22H2,1-2H3,(H2,46,52);4-5,10-12,16,21-23,31,48-49H,2-3,6-9,13-15,17-20,24H2,1H3;5-6,9-11,15,21-23,29H,4,7-8,12-14,16-20H2,1-3H3,(H,48,49)/t30-,37+;31-,36+;29-,36+/m111/s1
• InChIKey: NOZBPZGOOAEVSJ-CHIVVOQWSA-N
• XLogP: 22.94
• TPSA: 363.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 40
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2362.50
LogP ≤ 5	22.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-1-[4-(1,1-difluoroethyl)pyridine-3-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-4-[2-(2-methoxyethoxy)phenyl]piperidine-4-carboxylic acid;[(2R,3S)-3-[4-(hydroxymethyl)-4-[2-(4-hydroxypent-4-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;4-[2-(5-oxohexoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carboxamide?

The IUPAC name of 1-[(2R,3S)-1-[4-(1,1-difluoroethyl)pyridine-3-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-4-[2-(2-methoxyethoxy)phenyl]piperidine-4-carboxylic acid;[(2R,3S)-3-[4-(hydroxymethyl)-4-[2-(4-hydroxypent-4-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;4-[2-(5-oxohexoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carboxamide (CID 159843412) is 1-[(2R,3S)-1-[4-(1,1-difluoroethyl)pyridine-3-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-4-[2-(2-methoxyethoxy)phenyl]piperidine-4-carboxylic acid;[(2R,3S)-3-[4-(hydroxymethyl)-4-[2-(4-hydroxypent-4-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;4-[2-(5-oxohexoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[(2R,3S)-1-[4-(1,1-difluoroethyl)pyridine-3-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-4-[2-(2-methoxyethoxy)phenyl]piperidine-4-carboxylic acid;[(2R,3S)-3-[4-(hydroxymethyl)-4-[2-(4-hydroxypent-4-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;4-[2-(5-oxohexoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[(2R,3S)-1-[4-(1,1-difluoroethyl)pyridine-3-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-4-[2-(2-methoxyethoxy)phenyl]piperidine-4-carboxylic acid;[(2R,3S)-3-[4-(hydroxymethyl)-4-[2-(4-hydroxypent-4-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;4-[2-(5-oxohexoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carboxamide is C=C(O)CCCOc1ccccc1C1(CO)CCN(C(=O)[C@]2(Oc3csc(C(F)(F)F)c3)CCCN(C(=O)c3cnccc3C(F)(F)F)[C@@H]2CCC)CC1.CCC[C@H]1N(C(=O)c2cnccc2C(C)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCC(C(=O)O)(c2ccccc2OCCOC)CC1.CCC[C@H]1N(C(=O)c2ncccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCC(C(N)=O)(c2ccccc2OCCCCC(C)=O)CC1.

What is the InChIKey of 1-[(2R,3S)-1-[4-(1,1-difluoroethyl)pyridine-3-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-4-[2-(2-methoxyethoxy)phenyl]piperidine-4-carboxylic acid;[(2R,3S)-3-[4-(hydroxymethyl)-4-[2-(4-hydroxypent-4-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;4-[2-(5-oxohexoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carboxamide?

The InChIKey is NOZBPZGOOAEVSJ-CHIVVOQWSA-N. The full InChI is InChI=1S/C39H44F6N4O6S.C38H43F6N3O6S.C37H42F5N3O7S/c1-3-10-30-37(55-26-23-31(56-24-26)39(43,44)45,15-9-19-49(30)33(51)32-28(38(40,41)42)13-8-18-47-32)35(53)48-20-16-36(17-21-48,34(46)52)27-12-4-5-14-29(27)54-22-7-6-11-25(2)50;1-3-8-31-36(53-26-21-32(54-23-26)38(42,43)44,13-7-17-47(31)33(50)27-22-45-16-12-28(27)37(39,40)41)34(51)46-18-14-35(24-48,15-19-46)29-10-4-5-11-30(29)52-20-6-9-25(2)49;1-4-8-29-36(52-24-21-30(53-23-24)37(40,41)42,12-7-16-45(29)31(46)25-22-43-15-11-26(25)34(2,38)39)32(47)44-17-13-35(14-18-44,33(48)49)27-9-5-6-10-28(27)51-20-19-50-3/h4-5,8,12-14,18,23-24,30H,3,6-7,9-11,15-17,19-22H2,1-2H3,(H2,46,52);4-5,10-12,16,21-23,31,48-49H,2-3,6-9,13-15,17-20,24H2,1H3;5-6,9-11,15,21-23,29H,4,7-8,12-14,16-20H2,1-3H3,(H,48,49)/t30-,37+;31-,36+;29-,36+/m111/s1.

What are the key properties of 1-[(2R,3S)-1-[4-(1,1-difluoroethyl)pyridine-3-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-4-[2-(2-methoxyethoxy)phenyl]piperidine-4-carboxylic acid;[(2R,3S)-3-[4-(hydroxymethyl)-4-[2-(4-hydroxypent-4-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;4-[2-(5-oxohexoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carboxamide?

1-[(2R,3S)-1-[4-(1,1-difluoroethyl)pyridine-3-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-4-[2-(2-methoxyethoxy)phenyl]piperidine-4-carboxylic acid;[(2R,3S)-3-[4-(hydroxymethyl)-4-[2-(4-hydroxypent-4-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;4-[2-(5-oxohexoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 2362.50 g/mol, XLogP of 22.94, 40 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3S)-1-[4-(1,1-difluoroethyl)pyridine-3-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]-4-[2-(2-methoxyethoxy)phenyl]piperidine-4-carboxylic acid;[(2R,3S)-3-[4-(hydroxymethyl)-4-[2-(4-hydroxypent-4-enoxy)phenyl]piperidine-1-carbonyl]-2-propyl-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;4-[2-(5-oxohexoxy)phenyl]-1-[(2R,3S)-2-propyl-1-[3-(trifluoromethyl)pyridine-2-carbonyl]-3-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 159843412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).