N-[6-[4-(2,3-dihydro-1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C34H34F3N7O3 — CID 46207783

About N-[6-[4-(2,3-dihydro-1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[6-[4-(2,3-dihydro-1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46207783) has the molecular formula C34H34F3N7O3 and a molecular weight of 645.69 g/mol. Its IUPAC name is N-[6-[4-(2,3-dihydro-1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-(2,3-dihydro-1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 46207783
• Molecular Formula: C34H34F3N7O3
• Molecular Weight: 645.69 g/mol
• Exact Mass: 645.27
• IUPAC Name: N-[6-[4-(2,3-dihydro-1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• SMILES: O=C(Nc1ccc(N2CCN(C(=O)C3Cc4ccccc4N3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F
• InChI: InChI=1S/C34H34F3N7O3/c35-34(36,37)30-29(47-33(41-30)44-14-12-23(13-15-44)22-6-2-1-3-7-22)31(45)39-25-10-11-28(38-21-25)42-16-18-43(19-17-42)32(46)27-20-24-8-4-5-9-26(24)40-27/h1-11,21,23,27,40H,12-20H2,(H,39,45)
• InChIKey: ZCAFEAAARQEOQF-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 106.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.69
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2,3-dihydro-1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[6-[4-(2,3-dihydro-1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46207783) is N-[6-[4-(2,3-dihydro-1H-indole-2-carbonyl)piperazin-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-(2,3-dihydro-1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[6-[4-(2,3-dihydro-1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)C3Cc4ccccc4N3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.

What is the InChIKey of N-[6-[4-(2,3-dihydro-1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The InChIKey is ZCAFEAAARQEOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F3N7O3/c35-34(36,37)30-29(47-33(41-30)44-14-12-23(13-15-44)22-6-2-1-3-7-22)31(45)39-25-10-11-28(38-21-25)42-16-18-43(19-17-42)32(46)27-20-24-8-4-5-9-26(24)40-27/h1-11,21,23,27,40H,12-20H2,(H,39,45).

What are the key properties of N-[6-[4-(2,3-dihydro-1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

N-[6-[4-(2,3-dihydro-1H-indole-2-carbonyl)piperazin-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 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-(2,3-dihydro-1H-indole-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46207783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).