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

C22H22BrClN4O2 — CID 43933730

IUPACN-(4-bromo-3-methylphenyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(Cc3nc(-c4ccccc4Cl)no3)C2)ccc1Br
InChIInChI=1S/C22H22BrClN4O2/c1-14-11-16(8-9-18(14)23)25-22(29)15-5-4-10-28(12-15)13-20-26-21(27-30-20)17-6-2-3-7-19(17)24/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3,(H,25,29)
InChIKeyGQNSAVVHQUOWLQ-UHFFFAOYSA-N
MW489.80 g/mol
LogP5.31
Rot. Bonds5

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

N-(4-bromo-3-methylphenyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 43933730) has the molecular formula C22H22BrClN4O2 and a molecular weight of 489.80 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID43933730
Molecular FormulaC22H22BrClN4O2
Molecular Weight489.80 g/mol
Exact Mass488.06
IUPAC NameN-(4-bromo-3-methylphenyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(Cc3nc(-c4ccccc4Cl)no3)C2)ccc1Br
InChIInChI=1S/C22H22BrClN4O2/c1-14-11-16(8-9-18(14)23)25-22(29)15-5-4-10-28(12-15)13-20-26-21(27-30-20)17-6-2-3-7-19(17)24/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3,(H,25,29)
InChIKeyGQNSAVVHQUOWLQ-UHFFFAOYSA-N
XLogP5.31
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.80
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929627
N-(4-bromo-3-methylphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929970
N-(4-bromo-3-methylphenyl)-1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43932883
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 43933654
methyl 4-[[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]amino]benzoate
CID 43933682
N-(4-bromo-3-methylphenyl)-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43932035
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 43933683
N-(4-bromo-3-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43922053
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
CID 43933777
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide
CID 43933801
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-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43922058

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (CID 43933730) is N-(4-bromo-3-methylphenyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is Cc1cc(NC(=O)C2CCCN(Cc3nc(-c4ccccc4Cl)no3)C2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is GQNSAVVHQUOWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrClN4O2/c1-14-11-16(8-9-18(14)23)25-22(29)15-5-4-10-28(12-15)13-20-26-21(27-30-20)17-6-2-3-7-19(17)24/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3,(H,25,29).
What are the key properties of N-(4-bromo-3-methylphenyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
N-(4-bromo-3-methylphenyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 489.80 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43933730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).