N-[[4-(2-aminoacetyl)phenyl]methyl]-4-ethyl-N-phenylpiperazine-1-carboxamide;4-ethyl-N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperazine-1-carboxamide

C46H55F3N8O5 — CID 158082107

About N-[[4-(2-aminoacetyl)phenyl]methyl]-4-ethyl-N-phenylpiperazine-1-carboxamide;4-ethyl-N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperazine-1-carboxamide

N-[[4-(2-aminoacetyl)phenyl]methyl]-4-ethyl-N-phenylpiperazine-1-carboxamide;4-ethyl-N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperazine-1-carboxamide (PubChem CID 158082107) has the molecular formula C46H55F3N8O5 and a molecular weight of 856.99 g/mol. Its IUPAC name is N-[[4-(2-aminoacetyl)phenyl]methyl]-4-ethyl-N-phenylpiperazine-1-carboxamide;4-ethyl-N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(2-aminoacetyl)phenyl]methyl]-4-ethyl-N-phenylpiperazine-1-carboxamide;4-ethyl-N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperazine-1-carboxamide
• PubChem CID: 158082107
• Molecular Formula: C46H55F3N8O5
• Molecular Weight: 856.99 g/mol
• Exact Mass: 856.42
• IUPAC Name: N-[[4-(2-aminoacetyl)phenyl]methyl]-4-ethyl-N-phenylpiperazine-1-carboxamide;4-ethyl-N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperazine-1-carboxamide
• SMILES: CCN1CCN(C(=O)N(Cc2ccc(C(=O)CN)cc2)c2ccccc2)CC1.CCN1CCN(C(=O)N(Cc2ccc(C(=O)CNC(=O)C(F)(F)F)cc2)c2ccccc2)CC1
• InChI: InChI=1S/C24H27F3N4O3.C22H28N4O2/c1-2-29-12-14-30(15-13-29)23(34)31(20-6-4-3-5-7-20)17-18-8-10-19(11-9-18)21(32)16-28-22(33)24(25,26)27;1-2-24-12-14-25(15-13-24)22(28)26(20-6-4-3-5-7-20)17-18-8-10-19(11-9-18)21(27)16-23/h3-11H,2,12-17H2,1H3,(H,28,33);3-11H,2,12-17,23H2,1H3
• InChIKey: FNBQBSYEBYHMBK-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 142.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	856.99
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoacetyl)phenyl]methyl]-4-ethyl-N-phenylpiperazine-1-carboxamide;4-ethyl-N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperazine-1-carboxamide?

The IUPAC name of N-[[4-(2-aminoacetyl)phenyl]methyl]-4-ethyl-N-phenylpiperazine-1-carboxamide;4-ethyl-N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperazine-1-carboxamide (CID 158082107) is N-[[4-(2-aminoacetyl)phenyl]methyl]-4-ethyl-N-phenylpiperazine-1-carboxamide;4-ethyl-N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperazine-1-carboxamide.

What is the SMILES notation for N-[[4-(2-aminoacetyl)phenyl]methyl]-4-ethyl-N-phenylpiperazine-1-carboxamide;4-ethyl-N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperazine-1-carboxamide?

The canonical SMILES for N-[[4-(2-aminoacetyl)phenyl]methyl]-4-ethyl-N-phenylpiperazine-1-carboxamide;4-ethyl-N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperazine-1-carboxamide is CCN1CCN(C(=O)N(Cc2ccc(C(=O)CN)cc2)c2ccccc2)CC1.CCN1CCN(C(=O)N(Cc2ccc(C(=O)CNC(=O)C(F)(F)F)cc2)c2ccccc2)CC1.

What is the InChIKey of N-[[4-(2-aminoacetyl)phenyl]methyl]-4-ethyl-N-phenylpiperazine-1-carboxamide;4-ethyl-N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperazine-1-carboxamide?

The InChIKey is FNBQBSYEBYHMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O3.C22H28N4O2/c1-2-29-12-14-30(15-13-29)23(34)31(20-6-4-3-5-7-20)17-18-8-10-19(11-9-18)21(32)16-28-22(33)24(25,26)27;1-2-24-12-14-25(15-13-24)22(28)26(20-6-4-3-5-7-20)17-18-8-10-19(11-9-18)21(27)16-23/h3-11H,2,12-17H2,1H3,(H,28,33);3-11H,2,12-17,23H2,1H3.

What are the key properties of N-[[4-(2-aminoacetyl)phenyl]methyl]-4-ethyl-N-phenylpiperazine-1-carboxamide;4-ethyl-N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperazine-1-carboxamide?

N-[[4-(2-aminoacetyl)phenyl]methyl]-4-ethyl-N-phenylpiperazine-1-carboxamide;4-ethyl-N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 856.99 g/mol, XLogP of 5.90, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(2-aminoacetyl)phenyl]methyl]-4-ethyl-N-phenylpiperazine-1-carboxamide;4-ethyl-N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 158082107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).