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

C22H23ClN4O2 — CID 22581235

IUPAC1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)c1
InChIInChI=1S/C22H23ClN4O2/c1-2-15-4-3-5-19(14-15)24-21(28)17-10-12-27(13-11-17)22-25-20(26-29-22)16-6-8-18(23)9-7-16/h3-9,14,17H,2,10-13H2,1H3,(H,24,28)
InChIKeyIYBHZCCISPYSEB-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.81
Rot. Bonds5

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

1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide (PubChem CID 22581235) 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-ethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide
PubChem CID22581235
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)c1
InChIInChI=1S/C22H23ClN4O2/c1-2-15-4-3-5-19(14-15)24-21(28)17-10-12-27(13-11-17)22-25-20(26-29-22)16-6-8-18(23)9-7-16/h3-9,14,17H,2,10-13H2,1H3,(H,24,28)
InChIKeyIYBHZCCISPYSEB-UHFFFAOYSA-N
XLogP4.81
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.81
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-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 22581243
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 22581244
N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519523
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46358412
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 46378495
N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384741
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
1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-4-carboxamide
CID 22334890
N-(3-chlorophenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141601
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-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 53030333

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide (CID 22581235) is 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide is CCc1cccc(NC(=O)C2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)c1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide?
The InChIKey is IYBHZCCISPYSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-2-15-4-3-5-19(14-15)24-21(28)17-10-12-27(13-11-17)22-25-20(26-29-22)16-6-8-18(23)9-7-16/h3-9,14,17H,2,10-13H2,1H3,(H,24,28).
What are the key properties of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide?
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide has a molecular weight of 410.91 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 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 22581235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).