(2R)-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]-2-[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide

C33H32F7N3O2 — CID 139318020

About (2R)-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]-2-[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide

(2R)-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]-2-[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide (PubChem CID 139318020) has the molecular formula C33H32F7N3O2 and a molecular weight of 635.62 g/mol. Its IUPAC name is (2R)-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]-2-[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (2R)-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]-2-[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide
• PubChem CID: 139318020
• Molecular Formula: C33H32F7N3O2
• Molecular Weight: 635.62 g/mol
• Exact Mass: 635.24
• IUPAC Name: (2R)-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]-2-[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide
• SMILES: Cc1cccc(F)c1C(=O)N1CCCC(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(CN2CCCC2C(F)(F)F)cc1
• InChI: InChI=1S/C33H32F7N3O2/c1-20-6-2-10-26(34)28(20)31(45)43-17-4-9-25(30(44)41-24-8-3-7-23(18-24)32(35,36)37)29(43)22-14-12-21(13-15-22)19-42-16-5-11-27(42)33(38,39)40/h2-3,6-8,10,12-15,18,25,27,29H,4-5,9,11,16-17,19H2,1H3,(H,41,44)/t25?,27?,29-/m0/s1
• InChIKey: RSHCZRCKWYFLBD-HYUGXVLCSA-N
• XLogP: 7.91
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.62
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]-2-[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide?

The IUPAC name of (2R)-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]-2-[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide (CID 139318020) is (2R)-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]-2-[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide.

What is the SMILES notation for (2R)-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]-2-[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide?

The canonical SMILES for (2R)-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]-2-[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide is Cc1cccc(F)c1C(=O)N1CCCC(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(CN2CCCC2C(F)(F)F)cc1.

What is the InChIKey of (2R)-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]-2-[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide?

The InChIKey is RSHCZRCKWYFLBD-HYUGXVLCSA-N. The full InChI is InChI=1S/C33H32F7N3O2/c1-20-6-2-10-26(34)28(20)31(45)43-17-4-9-25(30(44)41-24-8-3-7-23(18-24)32(35,36)37)29(43)22-14-12-21(13-15-22)19-42-16-5-11-27(42)33(38,39)40/h2-3,6-8,10,12-15,18,25,27,29H,4-5,9,11,16-17,19H2,1H3,(H,41,44)/t25?,27?,29-/m0/s1.

What are the key properties of (2R)-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]-2-[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide?

(2R)-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]-2-[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide has a molecular weight of 635.62 g/mol, XLogP of 7.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]-2-[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 139318020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).