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

C21H19BrF2N4O2 — CID 43932538

IUPAC1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCCN(Cc2nc(-c3cccc(Br)c3)no2)C1
InChIInChI=1S/C21H19BrF2N4O2/c22-15-5-1-3-13(9-15)20-26-19(30-27-20)12-28-8-2-4-14(11-28)21(29)25-16-6-7-17(23)18(24)10-16/h1,3,5-7,9-10,14H,2,4,8,11-12H2,(H,25,29)
InChIKeyAXEHSBTZRRZMHZ-UHFFFAOYSA-N
MW477.31 g/mol
LogP4.63
Rot. Bonds5

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

1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide (PubChem CID 43932538) has the molecular formula C21H19BrF2N4O2 and a molecular weight of 477.31 g/mol. Its IUPAC name is 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
PubChem CID43932538
Molecular FormulaC21H19BrF2N4O2
Molecular Weight477.31 g/mol
Exact Mass476.07
IUPAC Name1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCCN(Cc2nc(-c3cccc(Br)c3)no2)C1
InChIInChI=1S/C21H19BrF2N4O2/c22-15-5-1-3-13(9-15)20-26-19(30-27-20)12-28-8-2-4-14(11-28)21(29)25-16-6-7-17(23)18(24)10-16/h1,3,5-7,9-10,14H,2,4,8,11-12H2,(H,25,29)
InChIKeyAXEHSBTZRRZMHZ-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-(3-bromophenyl)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934086
N-(3-bromophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931543
N-(3,4-difluorophenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930473
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 43932387
N-(3-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43932815
N-(3,4-difluorophenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931273
N-(3,4-difluorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930897
N-(4-bromo-2-fluorophenyl)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934234
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 43932890
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
CID 43932579
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 43932378
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 43932724

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide (CID 43932538) is 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)C1CCCN(Cc2nc(-c3cccc(Br)c3)no2)C1.
What is the InChIKey of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide?
The InChIKey is AXEHSBTZRRZMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrF2N4O2/c22-15-5-1-3-13(9-15)20-26-19(30-27-20)12-28-8-2-4-14(11-28)21(29)25-16-6-7-17(23)18(24)10-16/h1,3,5-7,9-10,14H,2,4,8,11-12H2,(H,25,29).
What are the key properties of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide?
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)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 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43932538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).