2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-fluoropropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-hydroxypropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide

C54H57F9N6O5 — CID 157377642

About 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-fluoropropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-hydroxypropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide

2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-fluoropropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-hydroxypropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide (PubChem CID 157377642) has the molecular formula C54H57F9N6O5 and a molecular weight of 1041.07 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-fluoropropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-hydroxypropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-fluoropropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-hydroxypropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide
• PubChem CID: 157377642
• Molecular Formula: C54H57F9N6O5
• Molecular Weight: 1041.07 g/mol
• Exact Mass: 1040.42
• IUPAC Name: 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-fluoropropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-hydroxypropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide
• SMILES: Cc1cccc2c(C(=O)N3CCC(c4cc(CNC(=O)C(F)(F)F)ccc4F)CC3)cn(CCCF)c12.Cc1cccc2c(C(=O)N3CCC(c4cc(CNC(=O)C(F)(F)F)ccc4F)CC3)cn(CCCO)c12
• InChI: InChI=1S/C27H28F5N3O2.C27H29F4N3O3/c1-17-4-2-5-20-22(16-35(24(17)20)11-3-10-28)25(36)34-12-8-19(9-13-34)21-14-18(6-7-23(21)29)15-33-26(37)27(30,31)32;1-17-4-2-5-20-22(16-34(24(17)20)10-3-13-35)25(36)33-11-8-19(9-12-33)21-14-18(6-7-23(21)28)15-32-26(37)27(29,30)31/h2,4-7,14,16,19H,3,8-13,15H2,1H3,(H,33,37);2,4-7,14,16,19,35H,3,8-13,15H2,1H3,(H,32,37)
• InChIKey: BKMRSBXROZPROZ-UHFFFAOYSA-N
• XLogP: 10.32
• TPSA: 128.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1041.07
LogP ≤ 5	10.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-fluoropropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-hydroxypropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide?

The IUPAC name of 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-fluoropropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-hydroxypropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide (CID 157377642) is 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-fluoropropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-hydroxypropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide.

What is the SMILES notation for 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-fluoropropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-hydroxypropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide?

The canonical SMILES for 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-fluoropropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-hydroxypropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide is Cc1cccc2c(C(=O)N3CCC(c4cc(CNC(=O)C(F)(F)F)ccc4F)CC3)cn(CCCF)c12.Cc1cccc2c(C(=O)N3CCC(c4cc(CNC(=O)C(F)(F)F)ccc4F)CC3)cn(CCCO)c12.

What is the InChIKey of 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-fluoropropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-hydroxypropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide?

The InChIKey is BKMRSBXROZPROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F5N3O2.C27H29F4N3O3/c1-17-4-2-5-20-22(16-35(24(17)20)11-3-10-28)25(36)34-12-8-19(9-13-34)21-14-18(6-7-23(21)29)15-33-26(37)27(30,31)32;1-17-4-2-5-20-22(16-34(24(17)20)10-3-13-35)25(36)33-11-8-19(9-12-33)21-14-18(6-7-23(21)28)15-32-26(37)27(29,30)31/h2,4-7,14,16,19H,3,8-13,15H2,1H3,(H,33,37);2,4-7,14,16,19,35H,3,8-13,15H2,1H3,(H,32,37).

What are the key properties of 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-fluoropropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-hydroxypropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide?

2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-fluoropropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-hydroxypropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide has a molecular weight of 1041.07 g/mol, XLogP of 10.32, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-fluoropropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(3-hydroxypropyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 157377642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).