N-[6-[4-(3-methyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C34H34F3N7O3 — CID 46209240

About N-[6-[4-(3-methyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[6-[4-(3-methyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46209240) has the molecular formula C34H34F3N7O3 and a molecular weight of 645.69 g/mol. Its IUPAC name is N-[6-[4-(3-methyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-(3-methyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 46209240
• Molecular Formula: C34H34F3N7O3
• Molecular Weight: 645.69 g/mol
• Exact Mass: 645.27
• IUPAC Name: N-[6-[4-(3-methyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• SMILES: Cn1c(=O)n(C2CCN(c3ccc(NC(=O)c4oc(N5CCC(c6ccccc6)CC5)nc4C(F)(F)F)cn3)CC2)c2ccccc21
• InChI: InChI=1S/C34H34F3N7O3/c1-41-26-9-5-6-10-27(26)44(33(41)46)25-15-19-42(20-16-25)28-12-11-24(21-38-28)39-31(45)29-30(34(35,36)37)40-32(47-29)43-17-13-23(14-18-43)22-7-3-2-4-8-22/h2-12,21,23,25H,13-20H2,1H3,(H,39,45)
• InChIKey: ATVDULXPQQPZSG-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 101.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.69
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(3-methyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[6-[4-(3-methyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46209240) is N-[6-[4-(3-methyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-[6-[4-(3-methyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[6-[4-(3-methyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is Cn1c(=O)n(C2CCN(c3ccc(NC(=O)c4oc(N5CCC(c6ccccc6)CC5)nc4C(F)(F)F)cn3)CC2)c2ccccc21.

What is the InChIKey of N-[6-[4-(3-methyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The InChIKey is ATVDULXPQQPZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F3N7O3/c1-41-26-9-5-6-10-27(26)44(33(41)46)25-15-19-42(20-16-25)28-12-11-24(21-38-28)39-31(45)29-30(34(35,36)37)40-32(47-29)43-17-13-23(14-18-43)22-7-3-2-4-8-22/h2-12,21,23,25H,13-20H2,1H3,(H,39,45).

What are the key properties of N-[6-[4-(3-methyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

N-[6-[4-(3-methyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 645.69 g/mol, XLogP of 6.22, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-(3-methyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46209240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).