N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

C25H24F2N2O4 — CID 46649817

IUPACN-[3-benzyl-4-(difluoromethoxy)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C25H24F2N2O4/c26-25(27)33-21-9-8-20(16-19(21)15-17-5-2-1-3-6-17)28-23(30)18-10-12-29(13-11-18)24(31)22-7-4-14-32-22/h1-9,14,16,18,25H,10-13,15H2,(H,28,30)
InChIKeyUHTPUPUXUQQSTJ-UHFFFAOYSA-N
MW454.47 g/mol
LogP4.96
Rot. Bonds7

About N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 46649817) has the molecular formula C25H24F2N2O4 and a molecular weight of 454.47 g/mol. Its IUPAC name is N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-benzyl-4-(difluoromethoxy)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
PubChem CID46649817
Molecular FormulaC25H24F2N2O4
Molecular Weight454.47 g/mol
Exact Mass454.17
IUPAC NameN-[3-benzyl-4-(difluoromethoxy)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C25H24F2N2O4/c26-25(27)33-21-9-8-20(16-19(21)15-17-5-2-1-3-6-17)28-23(30)18-10-12-29(13-11-18)24(31)22-7-4-14-32-22/h1-9,14,16,18,25H,10-13,15H2,(H,28,30)
InChIKeyUHTPUPUXUQQSTJ-UHFFFAOYSA-N
XLogP4.96
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-amino-2-oxoethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 39279841
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18274238
N-[4-(cyanomethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 78813860
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 35378219
1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 17432225
N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide
CID 27038654
1-(furan-2-carbonyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 6497474
N-[3-benzyl-4-(difluoromethoxy)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 24668099
tert-butyl N-[2-fluoro-5-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]carbamate
CID 55967524
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 16564174
methyl 2-[[4-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate
CID 46828250
1-(furan-2-carbonyl)-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 134008364

Frequently Asked Questions

What is the IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 46649817) is N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is UHTPUPUXUQQSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O4/c26-25(27)33-21-9-8-20(16-19(21)15-17-5-2-1-3-6-17)28-23(30)18-10-12-29(13-11-18)24(31)22-7-4-14-32-22/h1-9,14,16,18,25H,10-13,15H2,(H,28,30).
What are the key properties of N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 454.47 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 46649817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).