[1-methyl-2-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-yl]indol-5-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

C34H38F3N5O — CID 118391425

About [1-methyl-2-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-yl]indol-5-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

[1-methyl-2-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-yl]indol-5-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 118391425) has the molecular formula C34H38F3N5O and a molecular weight of 589.71 g/mol. Its IUPAC name is [1-methyl-2-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-yl]indol-5-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [1-methyl-2-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-yl]indol-5-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
• PubChem CID: 118391425
• Molecular Formula: C34H38F3N5O
• Molecular Weight: 589.71 g/mol
• Exact Mass: 589.30
• IUPAC Name: [1-methyl-2-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-yl]indol-5-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
• SMILES: Cc1ccc(CN2CCC(c3cc4cc(C(=O)N5CCN(Cc6ccc(C(F)(F)F)cc6)CC5)ccc4n3C)CC2)cn1
• InChI: InChI=1S/C34H38F3N5O/c1-24-3-4-26(21-38-24)23-40-13-11-27(12-14-40)32-20-29-19-28(7-10-31(29)39(32)2)33(43)42-17-15-41(16-18-42)22-25-5-8-30(9-6-25)34(35,36)37/h3-10,19-21,27H,11-18,22-23H2,1-2H3
• InChIKey: QLSWRLRJOVZBRI-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 44.61 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.71
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-yl]indol-5-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?

The IUPAC name of [1-methyl-2-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-yl]indol-5-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (CID 118391425) is [1-methyl-2-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-yl]indol-5-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.

What is the SMILES notation for [1-methyl-2-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-yl]indol-5-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?

The canonical SMILES for [1-methyl-2-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-yl]indol-5-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is Cc1ccc(CN2CCC(c3cc4cc(C(=O)N5CCN(Cc6ccc(C(F)(F)F)cc6)CC5)ccc4n3C)CC2)cn1.

What is the InChIKey of [1-methyl-2-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-yl]indol-5-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?

The InChIKey is QLSWRLRJOVZBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F3N5O/c1-24-3-4-26(21-38-24)23-40-13-11-27(12-14-40)32-20-29-19-28(7-10-31(29)39(32)2)33(43)42-17-15-41(16-18-42)22-25-5-8-30(9-6-25)34(35,36)37/h3-10,19-21,27H,11-18,22-23H2,1-2H3.

What are the key properties of [1-methyl-2-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-yl]indol-5-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?

[1-methyl-2-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-yl]indol-5-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 589.71 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-methyl-2-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-yl]indol-5-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 118391425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).