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

C23H25IN4O2 — CID 43929592

IUPACN-(4-iodo-2-methylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCc1cc(I)ccc1NC(=O)C1CCCN(Cc2nc(-c3ccccc3C)no2)C1
InChIInChI=1S/C23H25IN4O2/c1-15-6-3-4-8-19(15)22-26-21(30-27-22)14-28-11-5-7-17(13-28)23(29)25-20-10-9-18(24)12-16(20)2/h3-4,6,8-10,12,17H,5,7,11,13-14H2,1-2H3,(H,25,29)
InChIKeyDMMDDBJMXJCRQP-UHFFFAOYSA-N
MW516.38 g/mol
LogP4.81
Rot. Bonds5

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

N-(4-iodo-2-methylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 43929592) has the molecular formula C23H25IN4O2 and a molecular weight of 516.38 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID43929592
Molecular FormulaC23H25IN4O2
Molecular Weight516.38 g/mol
Exact Mass516.10
IUPAC NameN-(4-iodo-2-methylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCc1cc(I)ccc1NC(=O)C1CCCN(Cc2nc(-c3ccccc3C)no2)C1
InChIInChI=1S/C23H25IN4O2/c1-15-6-3-4-8-19(15)22-26-21(30-27-22)14-28-11-5-7-17(13-28)23(29)25-20-10-9-18(24)12-16(20)2/h3-4,6,8-10,12,17H,5,7,11,13-14H2,1-2H3,(H,25,29)
InChIKeyDMMDDBJMXJCRQP-UHFFFAOYSA-N
XLogP4.81
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.38
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929651
N-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929627
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide
CID 43929643
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43929579
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43929847
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 43933683
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pyridin-3-ylpiperidine-3-carboxamide
CID 43929537
N-butan-2-yl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929446
N-(2-methoxy-5-nitrophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929591
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 43933654
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 43932378
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylphenyl)piperidine-3-carboxamide
CID 43930153

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (CID 43929592) is N-(4-iodo-2-methylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is Cc1cc(I)ccc1NC(=O)C1CCCN(Cc2nc(-c3ccccc3C)no2)C1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is DMMDDBJMXJCRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25IN4O2/c1-15-6-3-4-8-19(15)22-26-21(30-27-22)14-28-11-5-7-17(13-28)23(29)25-20-10-9-18(24)12-16(20)2/h3-4,6,8-10,12,17H,5,7,11,13-14H2,1-2H3,(H,25,29).
What are the key properties of N-(4-iodo-2-methylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
N-(4-iodo-2-methylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 516.38 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43929592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).