N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperidine-1-carboxamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-1-carboxamide

C43H43F6N9O5 — CID 158683747

IUPACN-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperidine-1-carboxamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-1-carboxamide
SMILESO=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCCCC2)c2ccccc2)nc1.O=C(N1CCCCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cn1)c1ccccc1
InChIInChI=1S/C22H23F3N4O3.C21H20F3N5O2/c23-22(24,25)20(31)27-14-19(30)16-9-10-17(26-13-16)15-29(18-7-3-1-4-8-18)21(32)28-11-5-2-6-12-28;22-21(23,24)19-27-26-18(31-19)15-9-10-16(25-13-15)14-29(17-7-3-1-4-8-17)20(30)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,27,31);1,3-4,7-10,13H,2,5-6,11-12,14H2
InChIKeyIFLUUAQBZVSLQC-UHFFFAOYSA-N
MW879.86 g/mol
LogP8.32
Rot. Bonds10

About N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperidine-1-carboxamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-1-carboxamide

N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperidine-1-carboxamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-1-carboxamide (PubChem CID 158683747) has the molecular formula C43H43F6N9O5 and a molecular weight of 879.86 g/mol. Its IUPAC name is N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperidine-1-carboxamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperidine-1-carboxamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-1-carboxamide
PubChem CID158683747
Molecular FormulaC43H43F6N9O5
Molecular Weight879.86 g/mol
Exact Mass879.33
IUPAC NameN-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperidine-1-carboxamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-1-carboxamide
SMILESO=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCCCC2)c2ccccc2)nc1.O=C(N1CCCCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cn1)c1ccccc1
InChIInChI=1S/C22H23F3N4O3.C21H20F3N5O2/c23-22(24,25)20(31)27-14-19(30)16-9-10-17(26-13-16)15-29(18-7-3-1-4-8-18)21(32)28-11-5-2-6-12-28;22-21(23,24)19-27-26-18(31-19)15-9-10-16(25-13-15)14-29(17-7-3-1-4-8-17)20(30)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,27,31);1,3-4,7-10,13H,2,5-6,11-12,14H2
InChIKeyIFLUUAQBZVSLQC-UHFFFAOYSA-N
XLogP8.32
TPSA157.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.86
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperidine-1-carboxamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperidine-1-carboxamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperidine-1-carboxamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-1-carboxamide (CID 158683747) is N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperidine-1-carboxamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperidine-1-carboxamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperidine-1-carboxamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-1-carboxamide is O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CCCCC2)c2ccccc2)nc1.O=C(N1CCCCC1)N(Cc1ccc(-c2nnc(C(F)(F)F)o2)cn1)c1ccccc1.
What is the InChIKey of N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperidine-1-carboxamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-1-carboxamide?
The InChIKey is IFLUUAQBZVSLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3.C21H20F3N5O2/c23-22(24,25)20(31)27-14-19(30)16-9-10-17(26-13-16)15-29(18-7-3-1-4-8-18)21(32)28-11-5-2-6-12-28;22-21(23,24)19-27-26-18(31-19)15-9-10-16(25-13-15)14-29(17-7-3-1-4-8-17)20(30)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,27,31);1,3-4,7-10,13H,2,5-6,11-12,14H2.
What are the key properties of N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperidine-1-carboxamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-1-carboxamide?
N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperidine-1-carboxamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-1-carboxamide has a molecular weight of 879.86 g/mol, XLogP of 8.32, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperidine-1-carboxamide;N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 158683747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).