N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide

C44H43Cl2F7N6O5 — CID 157209710

About N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide

N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide (PubChem CID 157209710) has the molecular formula C44H43Cl2F7N6O5 and a molecular weight of 939.76 g/mol. Its IUPAC name is N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide
• PubChem CID: 157209710
• Molecular Formula: C44H43Cl2F7N6O5
• Molecular Weight: 939.76 g/mol
• Exact Mass: 938.26
• IUPAC Name: N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide
• SMILES: NCC(=O)c1ccc(CN(C(=O)N2CCCCC2)c2ccc(F)c(Cl)c2)c(F)c1.O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCCCC2)c2ccc(F)c(Cl)c2)c(F)c1
• InChI: InChI=1S/C23H21ClF5N3O3.C21H22ClF2N3O2/c24-17-11-16(6-7-18(17)25)32(22(35)31-8-2-1-3-9-31)13-15-5-4-14(10-19(15)26)20(33)12-30-21(34)23(27,28)29;22-17-11-16(6-7-18(17)23)27(21(29)26-8-2-1-3-9-26)13-15-5-4-14(10-19(15)24)20(28)12-25/h4-7,10-11H,1-3,8-9,12-13H2,(H,30,34);4-7,10-11H,1-3,8-9,12-13,25H2
• InChIKey: ARTDRWXCFMTYMD-UHFFFAOYSA-N
• XLogP: 9.46
• TPSA: 136.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	939.76
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide?

The IUPAC name of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide (CID 157209710) is N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide.

What is the SMILES notation for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide?

The canonical SMILES for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide is NCC(=O)c1ccc(CN(C(=O)N2CCCCC2)c2ccc(F)c(Cl)c2)c(F)c1.O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCCCC2)c2ccc(F)c(Cl)c2)c(F)c1.

What is the InChIKey of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide?

The InChIKey is ARTDRWXCFMTYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF5N3O3.C21H22ClF2N3O2/c24-17-11-16(6-7-18(17)25)32(22(35)31-8-2-1-3-9-31)13-15-5-4-14(10-19(15)26)20(33)12-30-21(34)23(27,28)29;22-17-11-16(6-7-18(17)23)27(21(29)26-8-2-1-3-9-26)13-15-5-4-14(10-19(15)24)20(28)12-25/h4-7,10-11H,1-3,8-9,12-13H2,(H,30,34);4-7,10-11H,1-3,8-9,12-13,25H2.

What are the key properties of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide?

N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 939.76 g/mol, XLogP of 9.46, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[2-fluoro-4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 157209710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).