4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide

C78H86N10O8 — CID 87787445

About 4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide

4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide (PubChem CID 87787445) has the molecular formula C78H86N10O8 and a molecular weight of 1291.61 g/mol. Its IUPAC name is 4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide
• PubChem CID: 87787445
• Molecular Formula: C78H86N10O8
• Molecular Weight: 1291.61 g/mol
• Exact Mass: 1290.66
• IUPAC Name: 4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide
• SMILES: CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc(CN5CCC(O)CC5)c5ccccc54)cc3)cc2C)cc1.Cc1cc(NC(=O)c2ccc(-n3cc(CN4CCC(O)CC4)c4ccccc43)cc2)ccc1Oc1ccc(NC(=O)NC(C)C)cc1
• InChI: InChI=1S/C40H45N5O4.C38H41N5O4/c1-4-30(5-2)42-40(48)43-31-12-17-35(18-13-31)49-38-19-14-32(24-27(38)3)41-39(47)28-10-15-33(16-11-28)45-26-29(36-8-6-7-9-37(36)45)25-44-22-20-34(46)21-23-44;1-25(2)39-38(46)41-29-10-15-33(16-11-29)47-36-17-12-30(22-26(36)3)40-37(45)27-8-13-31(14-9-27)43-24-28(34-6-4-5-7-35(34)43)23-42-20-18-32(44)19-21-42/h6-19,24,26,30,34,46H,4-5,20-23,25H2,1-3H3,(H,41,47)(H2,42,43,48);4-17,22,24-25,32,44H,18-21,23H2,1-3H3,(H,40,45)(H2,39,41,46)
• InChIKey: LQWAETGERMHYPG-UHFFFAOYSA-N
• XLogP: 15.72
• TPSA: 215.72 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1291.61
LogP ≤ 5	15.72
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide?

The IUPAC name of 4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide (CID 87787445) is 4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide.

What is the SMILES notation for 4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide?

The canonical SMILES for 4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide is CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc(CN5CCC(O)CC5)c5ccccc54)cc3)cc2C)cc1.Cc1cc(NC(=O)c2ccc(-n3cc(CN4CCC(O)CC4)c4ccccc43)cc2)ccc1Oc1ccc(NC(=O)NC(C)C)cc1.

What is the InChIKey of 4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide?

The InChIKey is LQWAETGERMHYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H45N5O4.C38H41N5O4/c1-4-30(5-2)42-40(48)43-31-12-17-35(18-13-31)49-38-19-14-32(24-27(38)3)41-39(47)28-10-15-33(16-11-28)45-26-29(36-8-6-7-9-37(36)45)25-44-22-20-34(46)21-23-44;1-25(2)39-38(46)41-29-10-15-33(16-11-29)47-36-17-12-30(22-26(36)3)40-37(45)27-8-13-31(14-9-27)43-24-28(34-6-4-5-7-35(34)43)23-42-20-18-32(44)19-21-42/h6-19,24,26,30,34,46H,4-5,20-23,25H2,1-3H3,(H,41,47)(H2,42,43,48);4-17,22,24-25,32,44H,18-21,23H2,1-3H3,(H,40,45)(H2,39,41,46).

What are the key properties of 4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide?

4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide has a molecular weight of 1291.61 g/mol, XLogP of 15.72, 20 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[3-methyl-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide is sourced from PubChem (CID 87787445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).