N-(4-bromo-2-fluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide

C21H19BrF2N4O2 — CID 43931691

IUPACN-(4-bromo-2-fluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C21H19BrF2N4O2/c22-15-5-8-18(17(24)10-15)25-21(29)14-2-1-9-28(11-14)12-19-26-20(27-30-19)13-3-6-16(23)7-4-13/h3-8,10,14H,1-2,9,11-12H2,(H,25,29)
InChIKeyQMZAAMOQKRAVBT-UHFFFAOYSA-N
MW477.31 g/mol
LogP4.63
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide

N-(4-bromo-2-fluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 43931691) has the molecular formula C21H19BrF2N4O2 and a molecular weight of 477.31 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID43931691
Molecular FormulaC21H19BrF2N4O2
Molecular Weight477.31 g/mol
Exact Mass476.07
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C21H19BrF2N4O2/c22-15-5-8-18(17(24)10-15)25-21(29)14-2-1-9-28(11-14)12-19-26-20(27-30-19)13-3-6-16(23)7-4-13/h3-8,10,14H,1-2,9,11-12H2,(H,25,29)
InChIKeyQMZAAMOQKRAVBT-UHFFFAOYSA-N
XLogP4.63
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.31
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-fluorophenyl)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934234
N-(3-bromophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931543
N-(4-bromo-2-fluorophenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934658
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 43932890
N-(2,4-difluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38151883
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43931688
N-(3-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43932815
dimethyl 5-[[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 43931717
N-(4-fluorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930801
N-[2-(tert-butylcarbamoyl)phenyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931715
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 38146231
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 43932809

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (CID 43931691) is N-(4-bromo-2-fluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is O=C(Nc1ccc(Br)cc1F)C1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is QMZAAMOQKRAVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrF2N4O2/c22-15-5-8-18(17(24)10-15)25-21(29)14-2-1-9-28(11-14)12-19-26-20(27-30-19)13-3-6-16(23)7-4-13/h3-8,10,14H,1-2,9,11-12H2,(H,25,29).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
N-(4-bromo-2-fluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 477.31 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43931691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).