N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-1-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-6-yl)ethyl]piperidine-4-carboxamide

C29H31F6N3O3 — CID 89174337

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-1-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-6-yl)ethyl]piperidine-4-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-1-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-6-yl)ethyl]piperidine-4-carboxamide (PubChem CID 89174337) has the molecular formula C29H31F6N3O3 and a molecular weight of 583.57 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-1-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-6-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-1-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-6-yl)ethyl]piperidine-4-carboxamide
• PubChem CID: 89174337
• Molecular Formula: C29H31F6N3O3
• Molecular Weight: 583.57 g/mol
• Exact Mass: 583.23
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-1-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-6-yl)ethyl]piperidine-4-carboxamide
• SMILES: O=C1Cc2ccc(C(O)CN3CCC(CC4CC4)(C(=O)NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)cc2N1
• InChI: InChI=1S/C29H31F6N3O3/c30-28(31,32)21-9-18(10-22(13-21)29(33,34)35)15-36-26(41)27(14-17-1-2-17)5-7-38(8-6-27)16-24(39)20-4-3-19-12-25(40)37-23(19)11-20/h3-4,9-11,13,17,24,39H,1-2,5-8,12,14-16H2,(H,36,41)(H,37,40)
• InChIKey: JXBHJYYOJMDRGQ-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 81.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.57
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-1-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-6-yl)ethyl]piperidine-4-carboxamide?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-1-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-6-yl)ethyl]piperidine-4-carboxamide (CID 89174337) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-1-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-6-yl)ethyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-1-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-6-yl)ethyl]piperidine-4-carboxamide?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-1-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-6-yl)ethyl]piperidine-4-carboxamide is O=C1Cc2ccc(C(O)CN3CCC(CC4CC4)(C(=O)NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)cc2N1.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-1-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-6-yl)ethyl]piperidine-4-carboxamide?

The InChIKey is JXBHJYYOJMDRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F6N3O3/c30-28(31,32)21-9-18(10-22(13-21)29(33,34)35)15-36-26(41)27(14-17-1-2-17)5-7-38(8-6-27)16-24(39)20-4-3-19-12-25(40)37-23(19)11-20/h3-4,9-11,13,17,24,39H,1-2,5-8,12,14-16H2,(H,36,41)(H,37,40).

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-1-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-6-yl)ethyl]piperidine-4-carboxamide?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-1-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-6-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 583.57 g/mol, XLogP of 5.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-1-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-6-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 89174337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).