4-acetamido-N-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide

C31H34FN3O5 — CID 19689800

About 4-acetamido-N-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide

4-acetamido-N-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide (PubChem CID 19689800) has the molecular formula C31H34FN3O5 and a molecular weight of 547.63 g/mol. Its IUPAC name is 4-acetamido-N-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-acetamido-N-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide
• PubChem CID: 19689800
• Molecular Formula: C31H34FN3O5
• Molecular Weight: 547.63 g/mol
• Exact Mass: 547.25
• IUPAC Name: 4-acetamido-N-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide
• SMILES: COc1ccc(OC)c(N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)C(=O)c2ccc(NC(C)=O)cc2)c1
• InChI: InChI=1S/C31H34FN3O5/c1-21(36)33-26-10-6-24(7-11-26)31(38)35(28-20-27(39-2)12-13-29(28)40-3)19-18-34-16-14-23(15-17-34)30(37)22-4-8-25(32)9-5-22/h4-13,20,23H,14-19H2,1-3H3,(H,33,36)
• InChIKey: ZBAQBFDVCAAPJQ-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.63
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide?

The IUPAC name of 4-acetamido-N-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide (CID 19689800) is 4-acetamido-N-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide.

What is the SMILES notation for 4-acetamido-N-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide?

The canonical SMILES for 4-acetamido-N-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide is COc1ccc(OC)c(N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)C(=O)c2ccc(NC(C)=O)cc2)c1.

What is the InChIKey of 4-acetamido-N-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide?

The InChIKey is ZBAQBFDVCAAPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34FN3O5/c1-21(36)33-26-10-6-24(7-11-26)31(38)35(28-20-27(39-2)12-13-29(28)40-3)19-18-34-16-14-23(15-17-34)30(37)22-4-8-25(32)9-5-22/h4-13,20,23H,14-19H2,1-3H3,(H,33,36).

What are the key properties of 4-acetamido-N-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide?

4-acetamido-N-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 547.63 g/mol, XLogP of 5.04, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetamido-N-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 19689800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).