4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-N-(4,4,4-trifluorobutyl)benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)-2-propan-2-ylphenoxy]phenyl]benzamide

C76H101F3N8O9 — CID 87721208

About 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-N-(4,4,4-trifluorobutyl)benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)-2-propan-2-ylphenoxy]phenyl]benzamide

4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-N-(4,4,4-trifluorobutyl)benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)-2-propan-2-ylphenoxy]phenyl]benzamide (PubChem CID 87721208) has the molecular formula C76H101F3N8O9 and a molecular weight of 1327.68 g/mol. Its IUPAC name is 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-N-(4,4,4-trifluorobutyl)benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)-2-propan-2-ylphenoxy]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-N-(4,4,4-trifluorobutyl)benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)-2-propan-2-ylphenoxy]phenyl]benzamide
• PubChem CID: 87721208
• Molecular Formula: C76H101F3N8O9
• Molecular Weight: 1327.68 g/mol
• Exact Mass: 1326.76
• IUPAC Name: 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-N-(4,4,4-trifluorobutyl)benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)-2-propan-2-ylphenoxy]phenyl]benzamide
• SMILES: CCCCN1CCC(Oc2ccc(C(=O)N(CCCC(F)(F)F)c3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4OC)cc3)cc2)CC1.CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4C(C)C)cc3)cc2)CC1
• InChI: InChI=1S/C39H51F3N4O5.C37H50N4O4/c1-5-8-23-45-25-20-34(21-26-45)50-32-15-10-28(11-16-32)37(47)46(24-9-22-39(40,41)42)31-13-17-33(18-14-31)51-35-19-12-30(27-36(35)49-4)44-38(48)43-29(6-2)7-3;1-6-9-22-41-23-20-33(21-24-41)44-31-15-10-27(11-16-31)36(42)38-29-12-17-32(18-13-29)45-35-19-14-30(25-34(35)26(4)5)40-37(43)39-28(7-2)8-3/h10-19,27,29,34H,5-9,20-26H2,1-4H3,(H2,43,44,48);10-19,25-26,28,33H,6-9,20-24H2,1-5H3,(H,38,42)(H2,39,40,43)
• InChIKey: SNSOCHZTFHDZMQ-UHFFFAOYSA-N
• XLogP: 18.24
• TPSA: 184.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 31
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1327.68
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-N-(4,4,4-trifluorobutyl)benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)-2-propan-2-ylphenoxy]phenyl]benzamide?

The IUPAC name of 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-N-(4,4,4-trifluorobutyl)benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)-2-propan-2-ylphenoxy]phenyl]benzamide (CID 87721208) is 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-N-(4,4,4-trifluorobutyl)benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)-2-propan-2-ylphenoxy]phenyl]benzamide.

What is the SMILES notation for 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-N-(4,4,4-trifluorobutyl)benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)-2-propan-2-ylphenoxy]phenyl]benzamide?

The canonical SMILES for 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-N-(4,4,4-trifluorobutyl)benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)-2-propan-2-ylphenoxy]phenyl]benzamide is CCCCN1CCC(Oc2ccc(C(=O)N(CCCC(F)(F)F)c3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4OC)cc3)cc2)CC1.CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4C(C)C)cc3)cc2)CC1.

What is the InChIKey of 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-N-(4,4,4-trifluorobutyl)benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)-2-propan-2-ylphenoxy]phenyl]benzamide?

The InChIKey is SNSOCHZTFHDZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H51F3N4O5.C37H50N4O4/c1-5-8-23-45-25-20-34(21-26-45)50-32-15-10-28(11-16-32)37(47)46(24-9-22-39(40,41)42)31-13-17-33(18-14-31)51-35-19-12-30(27-36(35)49-4)44-38(48)43-29(6-2)7-3;1-6-9-22-41-23-20-33(21-24-41)44-31-15-10-27(11-16-31)36(42)38-29-12-17-32(18-13-29)45-35-19-14-30(25-34(35)26(4)5)40-37(43)39-28(7-2)8-3/h10-19,27,29,34H,5-9,20-26H2,1-4H3,(H2,43,44,48);10-19,25-26,28,33H,6-9,20-24H2,1-5H3,(H,38,42)(H2,39,40,43).

What are the key properties of 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-N-(4,4,4-trifluorobutyl)benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)-2-propan-2-ylphenoxy]phenyl]benzamide?

4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-N-(4,4,4-trifluorobutyl)benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)-2-propan-2-ylphenoxy]phenyl]benzamide has a molecular weight of 1327.68 g/mol, XLogP of 18.24, 31 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-N-(4,4,4-trifluorobutyl)benzamide;4-(1-butylpiperidin-4-yl)oxy-N-[4-[4-(pentan-3-ylcarbamoylamino)-2-propan-2-ylphenoxy]phenyl]benzamide is sourced from PubChem (CID 87721208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).