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

C20H20BrN5O2 — CID 78904253

IUPACN-(5-bromo-2-pyridinyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCCN(Cc2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C20H20BrN5O2/c21-16-8-9-17(22-11-16)23-20(27)15-7-4-10-26(12-15)13-18-24-19(25-28-18)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,22,23,27)
InChIKeyURSZNLFHABWRHD-UHFFFAOYSA-N
MW442.32 g/mol
LogP3.74
Rot. Bonds5

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

N-(5-bromo-2-pyridinyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 78904253) has the molecular formula C20H20BrN5O2 and a molecular weight of 442.32 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID78904253
Molecular FormulaC20H20BrN5O2
Molecular Weight442.32 g/mol
Exact Mass441.08
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCCN(Cc2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C20H20BrN5O2/c21-16-8-9-17(22-11-16)23-20(27)15-7-4-10-26(12-15)13-18-24-19(25-28-18)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,22,23,27)
InChIKeyURSZNLFHABWRHD-UHFFFAOYSA-N
XLogP3.74
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929041
N-(3-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43932815
(3S)-N-(cyclopropylmethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 94028331
(3R)-N-(cyclopropylmethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 94028332
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 43933224
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 43932890
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethyl-6-methylphenyl)piperidine-3-carboxamide
CID 43932933
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 43932822
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 43932378
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 43929124
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 43932809
N-(5-bromo-2-pyridinyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 55816665

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 78904253) is N-(5-bromo-2-pyridinyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCCN(Cc2nc(-c3ccccc3)no2)C1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is URSZNLFHABWRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN5O2/c21-16-8-9-17(22-11-16)23-20(27)15-7-4-10-26(12-15)13-18-24-19(25-28-18)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,22,23,27).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 442.32 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 78904253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).