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

C21H23N5O5S — CID 20904893

IUPAC1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(N3CCCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)C3)n2)cc1
InChIInChI=1S/C21H23N5O5S/c1-30-17-8-4-14(5-9-17)19-24-21(31-25-19)26-12-2-3-15(13-26)20(27)23-16-6-10-18(11-7-16)32(22,28)29/h4-11,15H,2-3,12-13H2,1H3,(H,23,27)(H2,22,28,29)
InChIKeyXHSDEABLIWLVLT-UHFFFAOYSA-N
MW457.51 g/mol
LogP2.25
Rot. Bonds6

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

1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)piperidine-3-carboxamide (PubChem CID 20904893) has the molecular formula C21H23N5O5S and a molecular weight of 457.51 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
PubChem CID20904893
Molecular FormulaC21H23N5O5S
Molecular Weight457.51 g/mol
Exact Mass457.14
IUPAC Name1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(N3CCCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)C3)n2)cc1
InChIInChI=1S/C21H23N5O5S/c1-30-17-8-4-14(5-9-17)19-24-21(31-25-19)26-12-2-3-15(13-26)20(27)23-16-6-10-18(11-7-16)32(22,28)29/h4-11,15H,2-3,12-13H2,1H3,(H,23,27)(H2,22,28,29)
InChIKeyXHSDEABLIWLVLT-UHFFFAOYSA-N
XLogP2.25
TPSA140.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,4-dimethylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20873273
N-(3-acetylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904896
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 126459659
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46257727
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 20904897
(3R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92705220
(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92705221
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 22519570
(3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 129424366
N-[(2-chlorophenyl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 20904891
(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide
CID 98471979
N-(3,5-dimethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358363

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)piperidine-3-carboxamide (CID 20904893) is 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)piperidine-3-carboxamide is COc1ccc(-c2noc(N3CCCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)C3)n2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)piperidine-3-carboxamide?
The InChIKey is XHSDEABLIWLVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5S/c1-30-17-8-4-14(5-9-17)19-24-21(31-25-19)26-12-2-3-15(13-26)20(27)23-16-6-10-18(11-7-16)32(22,28)29/h4-11,15H,2-3,12-13H2,1H3,(H,23,27)(H2,22,28,29).
What are the key properties of 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)piperidine-3-carboxamide?
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)piperidine-3-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 20904893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).