ethyl 1-[2-[4-[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]phenyl]acetyl]piperidine-4-carboxylate

C30H30F2N2O4 — CID 46046679

About ethyl 1-[2-[4-[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]phenyl]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[4-[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]phenyl]acetyl]piperidine-4-carboxylate (PubChem CID 46046679) has the molecular formula C30H30F2N2O4 and a molecular weight of 520.58 g/mol. Its IUPAC name is ethyl 1-[2-[4-[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]phenyl]acetyl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[2-[4-[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]phenyl]acetyl]piperidine-4-carboxylate
• PubChem CID: 46046679
• Molecular Formula: C30H30F2N2O4
• Molecular Weight: 520.58 g/mol
• Exact Mass: 520.22
• IUPAC Name: ethyl 1-[2-[4-[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]phenyl]acetyl]piperidine-4-carboxylate
• SMILES: CCOC(=O)C1CCN(C(=O)Cc2ccc(N(Cc3ccc(F)cc3)C(=O)c3cccc(F)c3)cc2)CC1
• InChI: InChI=1S/C30H30F2N2O4/c1-2-38-30(37)23-14-16-33(17-15-23)28(35)18-21-8-12-27(13-9-21)34(20-22-6-10-25(31)11-7-22)29(36)24-4-3-5-26(32)19-24/h3-13,19,23H,2,14-18,20H2,1H3
• InChIKey: SXNPHUOOHMZHDI-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 66.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.58
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]phenyl]acetyl]piperidine-4-carboxylate?

The IUPAC name of ethyl 1-[2-[4-[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]phenyl]acetyl]piperidine-4-carboxylate (CID 46046679) is ethyl 1-[2-[4-[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]phenyl]acetyl]piperidine-4-carboxylate.

What is the SMILES notation for ethyl 1-[2-[4-[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]phenyl]acetyl]piperidine-4-carboxylate?

The canonical SMILES for ethyl 1-[2-[4-[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]phenyl]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cc2ccc(N(Cc3ccc(F)cc3)C(=O)c3cccc(F)c3)cc2)CC1.

What is the InChIKey of ethyl 1-[2-[4-[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]phenyl]acetyl]piperidine-4-carboxylate?

The InChIKey is SXNPHUOOHMZHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N2O4/c1-2-38-30(37)23-14-16-33(17-15-23)28(35)18-21-8-12-27(13-9-21)34(20-22-6-10-25(31)11-7-22)29(36)24-4-3-5-26(32)19-24/h3-13,19,23H,2,14-18,20H2,1H3.

What are the key properties of ethyl 1-[2-[4-[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]phenyl]acetyl]piperidine-4-carboxylate?

ethyl 1-[2-[4-[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]phenyl]acetyl]piperidine-4-carboxylate has a molecular weight of 520.58 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[2-[4-[(3-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]phenyl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 46046679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).