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

C22H23ClN4O4 — CID 42760910

IUPAC2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCCC2c2nc(-c3ccc(Cl)cc3)no2)c(OC)c1
InChIInChI=1S/C22H23ClN4O4/c1-29-16-10-11-17(19(13-16)30-2)24-22(28)27-12-4-3-5-18(27)21-25-20(26-31-21)14-6-8-15(23)9-7-14/h6-11,13,18H,3-5,12H2,1-2H3,(H,24,28)
InChIKeyOUDZFPNCRCGIAF-UHFFFAOYSA-N
MW442.90 g/mol
LogP5.17
Rot. Bonds5

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

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide (PubChem CID 42760910) has the molecular formula C22H23ClN4O4 and a molecular weight of 442.90 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
PubChem CID42760910
Molecular FormulaC22H23ClN4O4
Molecular Weight442.90 g/mol
Exact Mass442.14
IUPAC Name2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCCC2c2nc(-c3ccc(Cl)cc3)no2)c(OC)c1
InChIInChI=1S/C22H23ClN4O4/c1-29-16-10-11-17(19(13-16)30-2)24-22(28)27-12-4-3-5-18(27)21-25-20(26-31-21)14-6-8-15(23)9-7-14/h6-11,13,18H,3-5,12H2,1-2H3,(H,24,28)
InChIKeyOUDZFPNCRCGIAF-UHFFFAOYSA-N
XLogP5.17
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.90
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 4665590
(2S)-N-(2,4-dimethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 7216498
(2R)-N-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7415297
(2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7365353
(2S)-N-(2,4-dichlorophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 93100941
(2R)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7219015
N-(2,4-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760812
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 42760881
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 95116605
N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039444
N-(3-methoxyphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 4567625
(2R)-N-(2-bromophenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 93049749

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide (CID 42760910) is 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCCCC2c2nc(-c3ccc(Cl)cc3)no2)c(OC)c1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is OUDZFPNCRCGIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O4/c1-29-16-10-11-17(19(13-16)30-2)24-22(28)27-12-4-3-5-18(27)21-25-20(26-31-21)14-6-8-15(23)9-7-14/h6-11,13,18H,3-5,12H2,1-2H3,(H,24,28).
What are the key properties of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide?
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 442.90 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 42760910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).