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

C21H20BrFN4O2 — CID 43932890

IUPAC1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCCN(Cc2nc(-c3ccc(Br)cc3)no2)C1
InChIInChI=1S/C21H20BrFN4O2/c22-16-8-6-14(7-9-16)20-25-19(29-26-20)13-27-10-2-3-15(12-27)21(28)24-18-5-1-4-17(23)11-18/h1,4-9,11,15H,2-3,10,12-13H2,(H,24,28)
InChIKeyTUIRBGDGIKENKD-UHFFFAOYSA-N
MW459.32 g/mol
LogP4.49
Rot. Bonds5

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

1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide (PubChem CID 43932890) has the molecular formula C21H20BrFN4O2 and a molecular weight of 459.32 g/mol. Its IUPAC name is 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
PubChem CID43932890
Molecular FormulaC21H20BrFN4O2
Molecular Weight459.32 g/mol
Exact Mass458.08
IUPAC Name1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCCN(Cc2nc(-c3ccc(Br)cc3)no2)C1
InChIInChI=1S/C21H20BrFN4O2/c22-16-8-6-14(7-9-16)20-25-19(29-26-20)13-27-10-2-3-15(12-27)21(28)24-18-5-1-4-17(23)11-18/h1,4-9,11,15H,2-3,10,12-13H2,(H,24,28)
InChIKeyTUIRBGDGIKENKD-UHFFFAOYSA-N
XLogP4.49
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.32
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43932815
N-(3-bromophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931543
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 43932819
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 43932809
N-(4-bromo-3-methylphenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43932883
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 43932538
N-(4-bromo-2-fluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931691
N-(3-bromophenyl)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934086
N-phenyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929041
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931833
1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 43922322
N-[3-(4-tert-butylbenzoyl)phenyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931832

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide (CID 43932890) is 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide is O=C(Nc1cccc(F)c1)C1CCCN(Cc2nc(-c3ccc(Br)cc3)no2)C1.
What is the InChIKey of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is TUIRBGDGIKENKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrFN4O2/c22-16-8-6-14(7-9-16)20-25-19(29-26-20)13-27-10-2-3-15(12-27)21(28)24-18-5-1-4-17(23)11-18/h1,4-9,11,15H,2-3,10,12-13H2,(H,24,28).
What are the key properties of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide?
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 459.32 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43932890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).