N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

C24H24F3N3O4 — CID 55962270

IUPACN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESN#Cc1cc(NC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)ccc1OCC(F)(F)F
InChIInChI=1S/C24H24F3N3O4/c25-24(26,27)16-34-21-9-8-19(13-18(21)14-28)29-23(32)17-5-4-11-30(15-17)22(31)10-12-33-20-6-2-1-3-7-20/h1-3,6-9,13,17H,4-5,10-12,15-16H2,(H,29,32)
InChIKeyUVTUSNXQIPHCJG-UHFFFAOYSA-N
MW475.47 g/mol
LogP4.15
Rot. Bonds8

About N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (PubChem CID 55962270) has the molecular formula C24H24F3N3O4 and a molecular weight of 475.47 g/mol. Its IUPAC name is N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
PubChem CID55962270
Molecular FormulaC24H24F3N3O4
Molecular Weight475.47 g/mol
Exact Mass475.17
IUPAC NameN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESN#Cc1cc(NC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)ccc1OCC(F)(F)F
InChIInChI=1S/C24H24F3N3O4/c25-24(26,27)16-34-21-9-8-19(13-18(21)14-28)29-23(32)17-5-4-11-30(15-17)22(31)10-12-33-20-6-2-1-3-7-20/h1-3,6-9,13,17H,4-5,10-12,15-16H2,(H,29,32)
InChIKeyUVTUSNXQIPHCJG-UHFFFAOYSA-N
XLogP4.15
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 46470379
1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 55965390
N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553985
1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55966129
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015275
N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75497020
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55962463
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55968781
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55966537
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46487299

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (CID 55962270) is N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is N#Cc1cc(NC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)ccc1OCC(F)(F)F.
What is the InChIKey of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The InChIKey is UVTUSNXQIPHCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O4/c25-24(26,27)16-34-21-9-8-19(13-18(21)14-28)29-23(32)17-5-4-11-30(15-17)22(31)10-12-33-20-6-2-1-3-7-20/h1-3,6-9,13,17H,4-5,10-12,15-16H2,(H,29,32).
What are the key properties of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide has a molecular weight of 475.47 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55962270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).