4-(butanoylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)benzamide

C32H36FN3O4 — CID 19689829

About 4-(butanoylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)benzamide

4-(butanoylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)benzamide (PubChem CID 19689829) has the molecular formula C32H36FN3O4 and a molecular weight of 545.66 g/mol. Its IUPAC name is 4-(butanoylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)benzamide.

Molecular Properties

• Compound Name: 4-(butanoylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)benzamide
• PubChem CID: 19689829
• Molecular Formula: C32H36FN3O4
• Molecular Weight: 545.66 g/mol
• Exact Mass: 545.27
• IUPAC Name: 4-(butanoylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)benzamide
• SMILES: CCCC(=O)Nc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccc(OC)c2)cc1
• InChI: InChI=1S/C32H36FN3O4/c1-3-5-30(37)34-27-14-10-25(11-15-27)32(39)36(28-6-4-7-29(22-28)40-2)21-20-35-18-16-24(17-19-35)31(38)23-8-12-26(33)13-9-23/h4,6-15,22,24H,3,5,16-21H2,1-2H3,(H,34,37)
• InChIKey: GOABIVKIUVNOLM-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.66
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)benzamide?

The IUPAC name of 4-(butanoylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)benzamide (CID 19689829) is 4-(butanoylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)benzamide.

What is the SMILES notation for 4-(butanoylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)benzamide?

The canonical SMILES for 4-(butanoylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)benzamide is CCCC(=O)Nc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccc(OC)c2)cc1.

What is the InChIKey of 4-(butanoylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)benzamide?

The InChIKey is GOABIVKIUVNOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN3O4/c1-3-5-30(37)34-27-14-10-25(11-15-27)32(39)36(28-6-4-7-29(22-28)40-2)21-20-35-18-16-24(17-19-35)31(38)23-8-12-26(33)13-9-23/h4,6-15,22,24H,3,5,16-21H2,1-2H3,(H,34,37).

What are the key properties of 4-(butanoylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)benzamide?

4-(butanoylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)benzamide has a molecular weight of 545.66 g/mol, XLogP of 5.81, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(butanoylamino)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 19689829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).