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

C44H47Cl2F3N6O5 — CID 160759179

IUPACN-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide;N-(3-chlorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide
SMILESNCC(=O)c1ccc(CN(C(=O)N2CCCCC2)c2cccc(Cl)c2)cc1.O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCCCC2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H23ClF3N3O3.C21H24ClN3O2/c24-18-5-4-6-19(13-18)30(22(33)29-11-2-1-3-12-29)15-16-7-9-17(10-8-16)20(31)14-28-21(32)23(25,26)27;22-18-5-4-6-19(13-18)25(21(27)24-11-2-1-3-12-24)15-16-7-9-17(10-8-16)20(26)14-23/h4-10,13H,1-3,11-12,14-15H2,(H,28,32);4-10,13H,1-3,11-12,14-15,23H2
InChIKeyRXVFZGGTHCKLGQ-UHFFFAOYSA-N
MW867.80 g/mol
LogP8.91
Rot. Bonds11

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

N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide;N-(3-chlorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide (PubChem CID 160759179) has the molecular formula C44H47Cl2F3N6O5 and a molecular weight of 867.80 g/mol. Its IUPAC name is N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide;N-(3-chlorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide;N-(3-chlorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide
PubChem CID160759179
Molecular FormulaC44H47Cl2F3N6O5
Molecular Weight867.80 g/mol
Exact Mass866.29
IUPAC NameN-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide;N-(3-chlorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide
SMILESNCC(=O)c1ccc(CN(C(=O)N2CCCCC2)c2cccc(Cl)c2)cc1.O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCCCC2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H23ClF3N3O3.C21H24ClN3O2/c24-18-5-4-6-19(13-18)30(22(33)29-11-2-1-3-12-29)15-16-7-9-17(10-8-16)20(31)14-28-21(32)23(25,26)27;22-18-5-4-6-19(13-18)25(21(27)24-11-2-1-3-12-24)15-16-7-9-17(10-8-16)20(26)14-23/h4-10,13H,1-3,11-12,14-15H2,(H,28,32);4-10,13H,1-3,11-12,14-15,23H2
InChIKeyRXVFZGGTHCKLGQ-UHFFFAOYSA-N
XLogP8.91
TPSA136.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.80
LogP ≤ 58.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide;N-(3-chlorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide;N-(3-chlorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide (CID 160759179) is N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide;N-(3-chlorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide;N-(3-chlorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide;N-(3-chlorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide is NCC(=O)c1ccc(CN(C(=O)N2CCCCC2)c2cccc(Cl)c2)cc1.O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCCCC2)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide;N-(3-chlorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is RXVFZGGTHCKLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N3O3.C21H24ClN3O2/c24-18-5-4-6-19(13-18)30(22(33)29-11-2-1-3-12-29)15-16-7-9-17(10-8-16)20(31)14-28-21(32)23(25,26)27;22-18-5-4-6-19(13-18)25(21(27)24-11-2-1-3-12-24)15-16-7-9-17(10-8-16)20(26)14-23/h4-10,13H,1-3,11-12,14-15H2,(H,28,32);4-10,13H,1-3,11-12,14-15,23H2.
What are the key properties of N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide;N-(3-chlorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide?
N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide;N-(3-chlorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 867.80 g/mol, XLogP of 8.91, 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)phenyl]methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide;N-(3-chlorophenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 160759179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).