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

C20H27BrN4O2 — CID 43933138

IUPAC1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylbutan-2-yl)piperidine-3-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCCN(Cc2nc(-c3ccc(Br)cc3)no2)C1
InChIInChI=1S/C20H27BrN4O2/c1-4-20(2,3)23-19(26)15-6-5-11-25(12-15)13-17-22-18(24-27-17)14-7-9-16(21)10-8-14/h7-10,15H,4-6,11-13H2,1-3H3,(H,23,26)
InChIKeyUNDOYGDNOCAQGM-UHFFFAOYSA-N
MW435.37 g/mol
LogP4.02
Rot. Bonds6

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

1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylbutan-2-yl)piperidine-3-carboxamide (PubChem CID 43933138) has the molecular formula C20H27BrN4O2 and a molecular weight of 435.37 g/mol. Its IUPAC name is 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylbutan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylbutan-2-yl)piperidine-3-carboxamide
PubChem CID43933138
Molecular FormulaC20H27BrN4O2
Molecular Weight435.37 g/mol
Exact Mass434.13
IUPAC Name1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylbutan-2-yl)piperidine-3-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCCN(Cc2nc(-c3ccc(Br)cc3)no2)C1
InChIInChI=1S/C20H27BrN4O2/c1-4-20(2,3)23-19(26)15-6-5-11-25(12-15)13-17-22-18(24-27-17)14-7-9-16(21)10-8-14/h7-10,15H,4-6,11-13H2,1-3H3,(H,23,26)
InChIKeyUNDOYGDNOCAQGM-UHFFFAOYSA-N
XLogP4.02
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-3-carboxamide
CID 43933201
N-(2-methylbutan-2-yl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935254
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-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 43932809
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-butylphenyl)piperidine-3-carboxamide
CID 43932961
N-(3-bromophenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43932815
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43933169
N-(4-bromo-3-methylphenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43932883
[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 43932946
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 43933081
N-cyclooctyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930506

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylbutan-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylbutan-2-yl)piperidine-3-carboxamide (CID 43933138) is 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylbutan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylbutan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylbutan-2-yl)piperidine-3-carboxamide is CCC(C)(C)NC(=O)C1CCCN(Cc2nc(-c3ccc(Br)cc3)no2)C1.
What is the InChIKey of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylbutan-2-yl)piperidine-3-carboxamide?
The InChIKey is UNDOYGDNOCAQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN4O2/c1-4-20(2,3)23-19(26)15-6-5-11-25(12-15)13-17-22-18(24-27-17)14-7-9-16(21)10-8-14/h7-10,15H,4-6,11-13H2,1-3H3,(H,23,26).
What are the key properties of 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylbutan-2-yl)piperidine-3-carboxamide?
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylbutan-2-yl)piperidine-3-carboxamide has a molecular weight of 435.37 g/mol, XLogP of 4.02, 6 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-(2-methylbutan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 43933138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).