(3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C29H29F3N4O2 — CID 124798481

About (3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide

(3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 124798481) has the molecular formula C29H29F3N4O2 and a molecular weight of 522.57 g/mol. Its IUPAC name is (3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
• PubChem CID: 124798481
• Molecular Formula: C29H29F3N4O2
• Molecular Weight: 522.57 g/mol
• Exact Mass: 522.22
• IUPAC Name: (3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
• SMILES: COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)Nc4ccccc4C(F)(F)F)C3)nc3ccccc32)cc1
• InChI: InChI=1S/C29H29F3N4O2/c1-38-22-14-12-20(13-15-22)17-36-26-11-5-4-10-25(26)33-27(36)19-35-16-6-7-21(18-35)28(37)34-24-9-3-2-8-23(24)29(30,31)32/h2-5,8-15,21H,6-7,16-19H2,1H3,(H,34,37)/t21-/m1/s1
• InChIKey: UZQGPKGCOOPOMH-OAQYLSRUSA-N
• XLogP: 5.96
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.57
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 124798481) is (3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide is COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)Nc4ccccc4C(F)(F)F)C3)nc3ccccc32)cc1.

What is the InChIKey of (3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?

The InChIKey is UZQGPKGCOOPOMH-OAQYLSRUSA-N. The full InChI is InChI=1S/C29H29F3N4O2/c1-38-22-14-12-20(13-15-22)17-36-26-11-5-4-10-25(26)33-27(36)19-35-16-6-7-21(18-35)28(37)34-24-9-3-2-8-23(24)29(30,31)32/h2-5,8-15,21H,6-7,16-19H2,1H3,(H,34,37)/t21-/m1/s1.

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

(3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 522.57 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 124798481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).