4-(4-hydroxypiperidin-1-yl)-N-[4-[4-(4,5,6,7-tetrahydroindol-1-yl)benzoyl]phenyl]benzamide

C33H33N3O3 — CID 141334575

About 4-(4-hydroxypiperidin-1-yl)-N-[4-[4-(4,5,6,7-tetrahydroindol-1-yl)benzoyl]phenyl]benzamide

4-(4-hydroxypiperidin-1-yl)-N-[4-[4-(4,5,6,7-tetrahydroindol-1-yl)benzoyl]phenyl]benzamide (PubChem CID 141334575) has the molecular formula C33H33N3O3 and a molecular weight of 519.65 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)-N-[4-[4-(4,5,6,7-tetrahydroindol-1-yl)benzoyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-(4-hydroxypiperidin-1-yl)-N-[4-[4-(4,5,6,7-tetrahydroindol-1-yl)benzoyl]phenyl]benzamide
• PubChem CID: 141334575
• Molecular Formula: C33H33N3O3
• Molecular Weight: 519.65 g/mol
• Exact Mass: 519.25
• IUPAC Name: 4-(4-hydroxypiperidin-1-yl)-N-[4-[4-(4,5,6,7-tetrahydroindol-1-yl)benzoyl]phenyl]benzamide
• SMILES: O=C(Nc1ccc(C(=O)c2ccc(-n3ccc4c3CCCC4)cc2)cc1)c1ccc(N2CCC(O)CC2)cc1
• InChI: InChI=1S/C33H33N3O3/c37-30-18-20-35(21-19-30)28-13-9-26(10-14-28)33(39)34-27-11-5-24(6-12-27)32(38)25-7-15-29(16-8-25)36-22-17-23-3-1-2-4-31(23)36/h5-17,22,30,37H,1-4,18-21H2,(H,34,39)
• InChIKey: MMTBUHNFIAAHNO-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 74.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.65
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-[4-[4-(4,5,6,7-tetrahydroindol-1-yl)benzoyl]phenyl]benzamide?

The IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-[4-[4-(4,5,6,7-tetrahydroindol-1-yl)benzoyl]phenyl]benzamide (CID 141334575) is 4-(4-hydroxypiperidin-1-yl)-N-[4-[4-(4,5,6,7-tetrahydroindol-1-yl)benzoyl]phenyl]benzamide.

What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)-N-[4-[4-(4,5,6,7-tetrahydroindol-1-yl)benzoyl]phenyl]benzamide?

The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)-N-[4-[4-(4,5,6,7-tetrahydroindol-1-yl)benzoyl]phenyl]benzamide is O=C(Nc1ccc(C(=O)c2ccc(-n3ccc4c3CCCC4)cc2)cc1)c1ccc(N2CCC(O)CC2)cc1.

What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)-N-[4-[4-(4,5,6,7-tetrahydroindol-1-yl)benzoyl]phenyl]benzamide?

The InChIKey is MMTBUHNFIAAHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O3/c37-30-18-20-35(21-19-30)28-13-9-26(10-14-28)33(39)34-27-11-5-24(6-12-27)32(38)25-7-15-29(16-8-25)36-22-17-23-3-1-2-4-31(23)36/h5-17,22,30,37H,1-4,18-21H2,(H,34,39).

What are the key properties of 4-(4-hydroxypiperidin-1-yl)-N-[4-[4-(4,5,6,7-tetrahydroindol-1-yl)benzoyl]phenyl]benzamide?

4-(4-hydroxypiperidin-1-yl)-N-[4-[4-(4,5,6,7-tetrahydroindol-1-yl)benzoyl]phenyl]benzamide has a molecular weight of 519.65 g/mol, XLogP of 5.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-hydroxypiperidin-1-yl)-N-[4-[4-(4,5,6,7-tetrahydroindol-1-yl)benzoyl]phenyl]benzamide is sourced from PubChem (CID 141334575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).