1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazine-2-carboxylic acid;2-[1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid;2-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid

C148H153F30N17O8 — CID 165052474

About 1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazine-2-carboxylic acid;2-[1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid;2-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid

1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazine-2-carboxylic acid;2-[1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid;2-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid (PubChem CID 165052474) has the molecular formula C148H153F30N17O8 and a molecular weight of 2867.90 g/mol. Its IUPAC name is 1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazine-2-carboxylic acid;2-[1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid;2-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid.

Molecular Properties

• Compound Name: 1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazine-2-carboxylic acid;2-[1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid;2-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid
• PubChem CID: 165052474
• Molecular Formula: C148H153F30N17O8
• Molecular Weight: 2867.90 g/mol
• Exact Mass: 2866.16
• IUPAC Name: 1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazine-2-carboxylic acid;2-[1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid;2-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid
• SMILES: CC(C)NC(=O)C1CN(Cc2ccc(-c3ccc(C(C)(C(F)(F)F)C(F)(F)F)cc3)cc2)CCN1Cc1ccncc1.CC(C)NC(=O)C1CN(Cc2ccncc2)CCN1Cc1ccc(-c2ccc(C(C)(C(F)(F)F)C(F)(F)F)cc2)cc1.CC(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)C(C(=O)O)C3)cc2)cc1)(C(F)(F)F)C(F)(F)F.CC(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)C(CC(=O)O)C3)cc2)cc1)(C(F)(F)F)C(F)(F)F.CC(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)CC3CC(=O)O)cc2)cc1)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/2C31H34F6N4O.2C29H29F6N3O2.C28H27F6N3O2/c1-21(2)39-28(42)27-20-40(18-23-12-14-38-15-13-23)16-17-41(27)19-22-4-6-24(7-5-22)25-8-10-26(11-9-25)29(3,30(32,33)34)31(35,36)37;1-21(2)39-28(42)27-20-40(16-17-41(27)19-23-12-14-38-15-13-23)18-22-4-6-24(7-5-22)25-8-10-26(11-9-25)29(3,30(32,33)34)31(35,36)37;1-27(28(30,31)32,29(33,34)35)24-8-6-23(7-9-24)22-4-2-20(3-5-22)18-38-15-14-37(19-25(38)16-26(39)40)17-21-10-12-36-13-11-21;1-27(28(30,31)32,29(33,34)35)24-8-6-23(7-9-24)22-4-2-20(3-5-22)17-37-14-15-38(25(19-37)16-26(39)40)18-21-10-12-36-13-11-21;1-26(27(29,30)31,28(32,33)34)23-8-6-22(7-9-23)21-4-2-19(3-5-21)16-36-14-15-37(24(18-36)25(38)39)17-20-10-12-35-13-11-20/h2*4-15,21,27H,16-20H2,1-3H3,(H,39,42);2*2-13,25H,14-19H2,1H3,(H,39,40);2-13,24H,14-18H2,1H3,(H,38,39)
• InChIKey: PWOYFQULOFHSAG-UHFFFAOYSA-N
• XLogP: 31.17
• TPSA: 266.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 39
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2867.90
LogP ≤ 5	31.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazine-2-carboxylic acid;2-[1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid;2-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid?

The IUPAC name of 1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazine-2-carboxylic acid;2-[1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid;2-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid (CID 165052474) is 1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazine-2-carboxylic acid;2-[1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid;2-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid.

What is the SMILES notation for 1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazine-2-carboxylic acid;2-[1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid;2-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid?

The canonical SMILES for 1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazine-2-carboxylic acid;2-[1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid;2-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid is CC(C)NC(=O)C1CN(Cc2ccc(-c3ccc(C(C)(C(F)(F)F)C(F)(F)F)cc3)cc2)CCN1Cc1ccncc1.CC(C)NC(=O)C1CN(Cc2ccncc2)CCN1Cc1ccc(-c2ccc(C(C)(C(F)(F)F)C(F)(F)F)cc2)cc1.CC(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)C(C(=O)O)C3)cc2)cc1)(C(F)(F)F)C(F)(F)F.CC(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)C(CC(=O)O)C3)cc2)cc1)(C(F)(F)F)C(F)(F)F.CC(c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)CC3CC(=O)O)cc2)cc1)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazine-2-carboxylic acid;2-[1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid;2-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid?

The InChIKey is PWOYFQULOFHSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H34F6N4O.2C29H29F6N3O2.C28H27F6N3O2/c1-21(2)39-28(42)27-20-40(18-23-12-14-38-15-13-23)16-17-41(27)19-22-4-6-24(7-5-22)25-8-10-26(11-9-25)29(3,30(32,33)34)31(35,36)37;1-21(2)39-28(42)27-20-40(16-17-41(27)19-23-12-14-38-15-13-23)18-22-4-6-24(7-5-22)25-8-10-26(11-9-25)29(3,30(32,33)34)31(35,36)37;1-27(28(30,31)32,29(33,34)35)24-8-6-23(7-9-24)22-4-2-20(3-5-22)18-38-15-14-37(19-25(38)16-26(39)40)17-21-10-12-36-13-11-21;1-27(28(30,31)32,29(33,34)35)24-8-6-23(7-9-24)22-4-2-20(3-5-22)17-37-14-15-38(25(19-37)16-26(39)40)18-21-10-12-36-13-11-21;1-26(27(29,30)31,28(32,33)34)23-8-6-22(7-9-23)21-4-2-19(3-5-21)16-36-14-15-37(24(18-36)25(38)39)17-20-10-12-35-13-11-20/h2*4-15,21,27H,16-20H2,1-3H3,(H,39,42);2*2-13,25H,14-19H2,1H3,(H,39,40);2-13,24H,14-18H2,1H3,(H,38,39).

What are the key properties of 1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazine-2-carboxylic acid;2-[1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid;2-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid?

1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazine-2-carboxylic acid;2-[1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid;2-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid has a molecular weight of 2867.90 g/mol, XLogP of 31.17, 39 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-N-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2-carboxamide;4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazine-2-carboxylic acid;2-[1-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid;2-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]phenyl]methyl]-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid is sourced from PubChem (CID 165052474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).