4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]benzamide

C49H48N4O4 — CID 176788497

About 4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]benzamide

4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]benzamide (PubChem CID 176788497) has the molecular formula C49H48N4O4 and a molecular weight of 756.95 g/mol. Its IUPAC name is 4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]benzamide
• PubChem CID: 176788497
• Molecular Formula: C49H48N4O4
• Molecular Weight: 756.95 g/mol
• Exact Mass: 756.37
• IUPAC Name: 4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]benzamide
• SMILES: Cc1ccc(C(=O)N2CCC(Oc3ccc(COc4ccc(-c5ccc(C(=O)Nc6ccc(N7CCC(c8ccccc8)CC7)nc6)cc5)cc4)cc3)CC2)cc1
• InChI: InChI=1S/C49H48N4O4/c1-35-7-11-42(12-8-35)49(55)53-31-27-46(28-32-53)57-45-20-9-36(10-21-45)34-56-44-22-17-39(18-23-44)38-13-15-41(16-14-38)48(54)51-43-19-24-47(50-33-43)52-29-25-40(26-30-52)37-5-3-2-4-6-37/h2-24,33,40,46H,25-32,34H2,1H3,(H,51,54)
• InChIKey: RJBCEXCVHQRQEW-UHFFFAOYSA-N
• XLogP: 9.96
• TPSA: 84.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.95
LogP ≤ 5	9.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]benzamide?

The IUPAC name of 4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]benzamide (CID 176788497) is 4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]benzamide.

What is the SMILES notation for 4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]benzamide?

The canonical SMILES for 4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]benzamide is Cc1ccc(C(=O)N2CCC(Oc3ccc(COc4ccc(-c5ccc(C(=O)Nc6ccc(N7CCC(c8ccccc8)CC7)nc6)cc5)cc4)cc3)CC2)cc1.

What is the InChIKey of 4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]benzamide?

The InChIKey is RJBCEXCVHQRQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H48N4O4/c1-35-7-11-42(12-8-35)49(55)53-31-27-46(28-32-53)57-45-20-9-36(10-21-45)34-56-44-22-17-39(18-23-44)38-13-15-41(16-14-38)48(54)51-43-19-24-47(50-33-43)52-29-25-40(26-30-52)37-5-3-2-4-6-37/h2-24,33,40,46H,25-32,34H2,1H3,(H,51,54).

What are the key properties of 4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]benzamide?

4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]benzamide has a molecular weight of 756.95 g/mol, XLogP of 9.96, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 176788497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).