1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanone;1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone

C68H75F3N6O7 — CID 159277555

About 1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanone;1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone

1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanone;1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone (PubChem CID 159277555) has the molecular formula C68H75F3N6O7 and a molecular weight of 1145.38 g/mol. Its IUPAC name is 1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanone;1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone.

Molecular Properties

• Compound Name: 1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanone;1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone
• PubChem CID: 159277555
• Molecular Formula: C68H75F3N6O7
• Molecular Weight: 1145.38 g/mol
• Exact Mass: 1144.56
• IUPAC Name: 1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanone;1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone
• SMILES: Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)CC4CCN(Cc5ccc(OC(F)(F)F)cc5)CC4)cn3)CC2)cc1.Cc1ccc(CN2CCC(CC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(C)cc5)CC4)nc3)CC2)cc1
• InChI: InChI=1S/C34H36F3N3O4.C34H39N3O3/c1-23-2-6-26(7-3-23)32(42)27-14-18-40(19-15-27)33(43)30-11-8-28(21-38-30)31(41)20-24-12-16-39(17-13-24)22-25-4-9-29(10-5-25)44-34(35,36)37;1-24-3-7-27(8-4-24)23-36-17-13-26(14-18-36)21-32(38)30-11-12-31(35-22-30)34(40)37-19-15-29(16-20-37)33(39)28-9-5-25(2)6-10-28/h2-11,21,24,27H,12-20,22H2,1H3;3-12,22,26,29H,13-21,23H2,1-2H3
• InChIKey: KYMSFYBAKFJRQN-UHFFFAOYSA-N
• XLogP: 12.43
• TPSA: 150.39 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1145.38
LogP ≤ 5	12.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanone;1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone?

The IUPAC name of 1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanone;1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone (CID 159277555) is 1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanone;1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone.

What is the SMILES notation for 1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanone;1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone?

The canonical SMILES for 1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanone;1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone is Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)CC4CCN(Cc5ccc(OC(F)(F)F)cc5)CC4)cn3)CC2)cc1.Cc1ccc(CN2CCC(CC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(C)cc5)CC4)nc3)CC2)cc1.

What is the InChIKey of 1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanone;1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone?

The InChIKey is KYMSFYBAKFJRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F3N3O4.C34H39N3O3/c1-23-2-6-26(7-3-23)32(42)27-14-18-40(19-15-27)33(43)30-11-8-28(21-38-30)31(41)20-24-12-16-39(17-13-24)22-25-4-9-29(10-5-25)44-34(35,36)37;1-24-3-7-27(8-4-24)23-36-17-13-26(14-18-36)21-32(38)30-11-12-31(35-22-30)34(40)37-19-15-29(16-20-37)33(39)28-9-5-25(2)6-10-28/h2-11,21,24,27H,12-20,22H2,1H3;3-12,22,26,29H,13-21,23H2,1-2H3.

What are the key properties of 1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanone;1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone?

1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanone;1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone has a molecular weight of 1145.38 g/mol, XLogP of 12.43, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanone;1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 159277555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).