1-methyl-5-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]spiro[indole-3,4'-piperidine]-2-one

C30H32F3N5O3S — CID 175591880

About 1-methyl-5-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]spiro[indole-3,4'-piperidine]-2-one

1-methyl-5-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]spiro[indole-3,4'-piperidine]-2-one (PubChem CID 175591880) has the molecular formula C30H32F3N5O3S and a molecular weight of 599.68 g/mol. Its IUPAC name is 1-methyl-5-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

• Compound Name: 1-methyl-5-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]spiro[indole-3,4'-piperidine]-2-one
• PubChem CID: 175591880
• Molecular Formula: C30H32F3N5O3S
• Molecular Weight: 599.68 g/mol
• Exact Mass: 599.22
• IUPAC Name: 1-methyl-5-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]spiro[indole-3,4'-piperidine]-2-one
• SMILES: CN1C(=O)C2(CCNCC2)c2cc(-c3ccc(S(=O)(=O)N4CCC(Nc5ccc(C(F)(F)F)cn5)CC4)cc3)ccc21
• InChI: InChI=1S/C30H32F3N5O3S/c1-37-26-8-4-21(18-25(26)29(28(37)39)12-14-34-15-13-29)20-2-6-24(7-3-20)42(40,41)38-16-10-23(11-17-38)36-27-9-5-22(19-35-27)30(31,32)33/h2-9,18-19,23,34H,10-17H2,1H3,(H,35,36)
• InChIKey: PUKSLQFDNMWXQC-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 94.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.68
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]spiro[indole-3,4'-piperidine]-2-one?

The IUPAC name of 1-methyl-5-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]spiro[indole-3,4'-piperidine]-2-one (CID 175591880) is 1-methyl-5-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]spiro[indole-3,4'-piperidine]-2-one.

What is the SMILES notation for 1-methyl-5-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]spiro[indole-3,4'-piperidine]-2-one?

The canonical SMILES for 1-methyl-5-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]spiro[indole-3,4'-piperidine]-2-one is CN1C(=O)C2(CCNCC2)c2cc(-c3ccc(S(=O)(=O)N4CCC(Nc5ccc(C(F)(F)F)cn5)CC4)cc3)ccc21.

What is the InChIKey of 1-methyl-5-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]spiro[indole-3,4'-piperidine]-2-one?

The InChIKey is PUKSLQFDNMWXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N5O3S/c1-37-26-8-4-21(18-25(26)29(28(37)39)12-14-34-15-13-29)20-2-6-24(7-3-20)42(40,41)38-16-10-23(11-17-38)36-27-9-5-22(19-35-27)30(31,32)33/h2-9,18-19,23,34H,10-17H2,1H3,(H,35,36).

What are the key properties of 1-methyl-5-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]spiro[indole-3,4'-piperidine]-2-one?

1-methyl-5-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 599.68 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 175591880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).