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

C35H35F3N6O3 — CID 46208178

About N-[6-[4-(2,3-dihydro-1H-indene-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-indene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46208178) has the molecular formula C35H35F3N6O3 and a molecular weight of 644.70 g/mol. Its IUPAC name is N-[6-[4-(2,3-dihydro-1H-indene-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-indene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 46208178
• Molecular Formula: C35H35F3N6O3
• Molecular Weight: 644.70 g/mol
• Exact Mass: 644.27
• IUPAC Name: N-[6-[4-(2,3-dihydro-1H-indene-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)C3Cc4ccccc4C3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F
• InChI: InChI=1S/C35H35F3N6O3/c36-35(37,38)31-30(47-34(41-31)44-14-12-24(13-15-44)23-6-2-1-3-7-23)32(45)40-28-10-11-29(39-22-28)42-16-18-43(19-17-42)33(46)27-20-25-8-4-5-9-26(25)21-27/h1-11,22,24,27H,12-21H2,(H,40,45)
• InChIKey: VYHDCJADIUXOOU-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 94.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.70
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2,3-dihydro-1H-indene-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-indene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46208178) is N-[6-[4-(2,3-dihydro-1H-indene-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-indene-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-indene-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)C3Cc4ccccc4C3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.

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

The InChIKey is VYHDCJADIUXOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35F3N6O3/c36-35(37,38)31-30(47-34(41-31)44-14-12-24(13-15-44)23-6-2-1-3-7-23)32(45)40-28-10-11-29(39-22-28)42-16-18-43(19-17-42)33(46)27-20-25-8-4-5-9-26(25)21-27/h1-11,22,24,27H,12-21H2,(H,40,45).

What are the key properties of N-[6-[4-(2,3-dihydro-1H-indene-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-indene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 644.70 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-(2,3-dihydro-1H-indene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46208178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).