tert-butyl N-[2-fluoro-5-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]carbamate

C22H26FN3O5 — CID 55967524

IUPACtert-butyl N-[2-fluoro-5-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)ccc1F
InChIInChI=1S/C22H26FN3O5/c1-22(2,3)31-21(29)25-17-13-15(6-7-16(17)23)24-19(27)14-8-10-26(11-9-14)20(28)18-5-4-12-30-18/h4-7,12-14H,8-11H2,1-3H3,(H,24,27)(H,25,29)
InChIKeySVWHIZZKGGRMCL-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.26
Rot. Bonds4

About tert-butyl N-[2-fluoro-5-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]carbamate

tert-butyl N-[2-fluoro-5-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]carbamate (PubChem CID 55967524) has the molecular formula C22H26FN3O5 and a molecular weight of 431.46 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-5-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-5-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]carbamate
PubChem CID55967524
Molecular FormulaC22H26FN3O5
Molecular Weight431.46 g/mol
Exact Mass431.19
IUPAC Nametert-butyl N-[2-fluoro-5-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)ccc1F
InChIInChI=1S/C22H26FN3O5/c1-22(2,3)31-21(29)25-17-13-15(6-7-16(17)23)24-19(27)14-8-10-26(11-9-14)20(28)18-5-4-12-30-18/h4-7,12-14H,8-11H2,1-3H3,(H,24,27)(H,25,29)
InChIKeySVWHIZZKGGRMCL-UHFFFAOYSA-N
XLogP4.26
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 17432225
S-[4-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529937
tert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate
CID 107240685
methyl 2-[[4-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate
CID 46828250
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 16564174
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 39279841
1-(furan-2-carbonyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 6497474
1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17081680
N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46649817
N-[4-(cyanomethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 78813860
tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 2980350
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
CID 112984587

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-5-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-5-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]carbamate (CID 55967524) is tert-butyl N-[2-fluoro-5-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-5-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-5-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)ccc1F.
What is the InChIKey of tert-butyl N-[2-fluoro-5-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]carbamate?
The InChIKey is SVWHIZZKGGRMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O5/c1-22(2,3)31-21(29)25-17-13-15(6-7-16(17)23)24-19(27)14-8-10-26(11-9-14)20(28)18-5-4-12-30-18/h4-7,12-14H,8-11H2,1-3H3,(H,24,27)(H,25,29).
What are the key properties of tert-butyl N-[2-fluoro-5-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]carbamate?
tert-butyl N-[2-fluoro-5-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]carbamate has a molecular weight of 431.46 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-5-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]carbamate is sourced from PubChem (CID 55967524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).