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

C25H25BrN6O2 — CID 43932662

IUPAC1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)C1CCCN(Cc2nc(-c3cccc(Br)c3)no2)C1
InChIInChI=1S/C25H25BrN6O2/c26-21-5-1-3-19(13-21)24-29-23(34-30-24)16-31-11-2-4-20(15-31)25(33)28-14-18-6-8-22(9-7-18)32-12-10-27-17-32/h1,3,5-10,12-13,17,20H,2,4,11,14-16H2,(H,28,33)
InChIKeyAZJOGMQRWJFOBC-UHFFFAOYSA-N
MW521.42 g/mol
LogP4.21
Rot. Bonds7

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

1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43932662) has the molecular formula C25H25BrN6O2 and a molecular weight of 521.42 g/mol. Its IUPAC name is 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID43932662
Molecular FormulaC25H25BrN6O2
Molecular Weight521.42 g/mol
Exact Mass520.12
IUPAC Name1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)C1CCCN(Cc2nc(-c3cccc(Br)c3)no2)C1
InChIInChI=1S/C25H25BrN6O2/c26-21-5-1-3-19(13-21)24-29-23(34-30-24)16-31-11-2-4-20(15-31)25(33)28-14-18-6-8-22(9-7-18)32-12-10-27-17-32/h1,3,5-10,12-13,17,20H,2,4,11,14-16H2,(H,28,33)
InChIKeyAZJOGMQRWJFOBC-UHFFFAOYSA-N
XLogP4.21
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43932658
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 43932238
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 43932597
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43933169
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 43930241
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 43932574
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 43932639
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 43932538
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43932561
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[(4-methylphenyl)methylsulfanyl]propyl]piperidine-3-carboxamide
CID 43932699
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 43930563
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 43932387

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide (CID 43932662) is 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide is O=C(NCc1ccc(-n2ccnc2)cc1)C1CCCN(Cc2nc(-c3cccc(Br)c3)no2)C1.
What is the InChIKey of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is AZJOGMQRWJFOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN6O2/c26-21-5-1-3-19(13-21)24-29-23(34-30-24)16-31-11-2-4-20(15-31)25(33)28-14-18-6-8-22(9-7-18)32-12-10-27-17-32/h1,3,5-10,12-13,17,20H,2,4,11,14-16H2,(H,28,33).
What are the key properties of 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 521.42 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43932662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).