[1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-[2-[[1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methoxy]propyl]tetrazol-5-yl]amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methyl N-ethylcarbamate

C61H67F20N13O3 — CID 143539063

About [1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-[2-[[1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methoxy]propyl]tetrazol-5-yl]amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methyl N-ethylcarbamate

[1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-[2-[[1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methoxy]propyl]tetrazol-5-yl]amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methyl N-ethylcarbamate (PubChem CID 143539063) has the molecular formula C61H67F20N13O3 and a molecular weight of 1410.25 g/mol. Its IUPAC name is [1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-[2-[[1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methoxy]propyl]tetrazol-5-yl]amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methyl N-ethylcarbamate.

Molecular Properties

• Compound Name: [1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-[2-[[1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methoxy]propyl]tetrazol-5-yl]amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methyl N-ethylcarbamate
• PubChem CID: 143539063
• Molecular Formula: C61H67F20N13O3
• Molecular Weight: 1410.25 g/mol
• Exact Mass: 1409.52
• IUPAC Name: [1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-[2-[[1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methoxy]propyl]tetrazol-5-yl]amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methyl N-ethylcarbamate
• SMILES: CCNC(=O)OCC1(F)CCN(C(CC)c2ccc(C(F)(F)F)cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(CC(C)OCC3(F)CCN(C(CC)c4ccc(C(F)(F)F)cc4CN(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4nnn(C)n4)CC3)n2)CC1
• InChI: InChI=1S/C61H67F20N13O3/c1-6-49(47-11-9-41(56(64,65)66)25-39(47)32-92(51-83-87-89(5)85-51)30-37-21-43(58(70,71)72)27-44(22-37)59(73,74)75)90-17-13-54(62,14-18-90)34-96-36(4)29-94-86-52(84-88-94)93(31-38-23-45(60(76,77)78)28-46(24-38)61(79,80)81)33-40-26-42(57(67,68)69)10-12-48(40)50(7-2)91-19-15-55(63,16-20-91)35-97-53(95)82-8-3/h9-12,21-28,36,49-50H,6-8,13-20,29-35H2,1-5H3,(H,82,95)
• InChIKey: ZRINCYRCUBYUQJ-UHFFFAOYSA-N
• XLogP: 15.08
• TPSA: 147.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1410.25
LogP ≤ 5	15.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of [1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-[2-[[1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methoxy]propyl]tetrazol-5-yl]amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methyl N-ethylcarbamate?

The IUPAC name of [1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-[2-[[1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methoxy]propyl]tetrazol-5-yl]amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methyl N-ethylcarbamate (CID 143539063) is [1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-[2-[[1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methoxy]propyl]tetrazol-5-yl]amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methyl N-ethylcarbamate.

What is the SMILES notation for [1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-[2-[[1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methoxy]propyl]tetrazol-5-yl]amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methyl N-ethylcarbamate?

The canonical SMILES for [1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-[2-[[1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methoxy]propyl]tetrazol-5-yl]amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methyl N-ethylcarbamate is CCNC(=O)OCC1(F)CCN(C(CC)c2ccc(C(F)(F)F)cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(CC(C)OCC3(F)CCN(C(CC)c4ccc(C(F)(F)F)cc4CN(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4nnn(C)n4)CC3)n2)CC1.

What is the InChIKey of [1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-[2-[[1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methoxy]propyl]tetrazol-5-yl]amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methyl N-ethylcarbamate?

The InChIKey is ZRINCYRCUBYUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H67F20N13O3/c1-6-49(47-11-9-41(56(64,65)66)25-39(47)32-92(51-83-87-89(5)85-51)30-37-21-43(58(70,71)72)27-44(22-37)59(73,74)75)90-17-13-54(62,14-18-90)34-96-36(4)29-94-86-52(84-88-94)93(31-38-23-45(60(76,77)78)28-46(24-38)61(79,80)81)33-40-26-42(57(67,68)69)10-12-48(40)50(7-2)91-19-15-55(63,16-20-91)35-97-53(95)82-8-3/h9-12,21-28,36,49-50H,6-8,13-20,29-35H2,1-5H3,(H,82,95).

What are the key properties of [1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-[2-[[1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methoxy]propyl]tetrazol-5-yl]amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methyl N-ethylcarbamate?

[1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-[2-[[1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methoxy]propyl]tetrazol-5-yl]amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methyl N-ethylcarbamate has a molecular weight of 1410.25 g/mol, XLogP of 15.08, 24 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-[2-[[1-[1-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methoxy]propyl]tetrazol-5-yl]amino]methyl]-4-(trifluoromethyl)phenyl]propyl]-4-fluoropiperidin-4-yl]methyl N-ethylcarbamate is sourced from PubChem (CID 143539063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).