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

C22H23ClN4O2 — CID 22581243

IUPAC1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1C
InChIInChI=1S/C22H23ClN4O2/c1-14-3-8-19(13-15(14)2)24-21(28)17-9-11-27(12-10-17)22-25-20(26-29-22)16-4-6-18(23)7-5-16/h3-8,13,17H,9-12H2,1-2H3,(H,24,28)
InChIKeyGJMRGNJIRGQKIH-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.86
Rot. Bonds4

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

1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide (PubChem CID 22581243) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
PubChem CID22581243
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1C
InChIInChI=1S/C22H23ClN4O2/c1-14-3-8-19(13-15(14)2)24-21(28)17-9-11-27(12-10-17)22-25-20(26-29-22)16-4-6-18(23)7-5-16/h3-8,13,17H,9-12H2,1-2H3,(H,24,28)
InChIKeyGJMRGNJIRGQKIH-UHFFFAOYSA-N
XLogP4.86
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 22581244
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 22581235
N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519523
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46257727
N-(3,4-dimethylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20873273
N-(3,5-dimethylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519659
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 53008811
N-(3,5-dimethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358363
N-(3-chloro-4-methoxyphenyl)-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 53051297
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 22519570
N-(3,4-dimethylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148372
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46358412

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide (CID 22581243) is 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1C.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide?
The InChIKey is GJMRGNJIRGQKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-14-3-8-19(13-15(14)2)24-21(28)17-9-11-27(12-10-17)22-25-20(26-29-22)16-4-6-18(23)7-5-16/h3-8,13,17H,9-12H2,1-2H3,(H,24,28).
What are the key properties of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide?
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 22581243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).