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

C17H22N4O4S — CID 110319587

IUPACN-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(-c2nnc(CNC(=O)C3CCN(S(C)(=O)=O)CC3)o2)cc1
InChIInChI=1S/C17H22N4O4S/c1-12-3-5-14(6-4-12)17-20-19-15(25-17)11-18-16(22)13-7-9-21(10-8-13)26(2,23)24/h3-6,13H,7-11H2,1-2H3,(H,18,22)
InChIKeyOCABQYHKQNPLNI-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.33
Rot. Bonds5

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

N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 110319587) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID110319587
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(-c2nnc(CNC(=O)C3CCN(S(C)(=O)=O)CC3)o2)cc1
InChIInChI=1S/C17H22N4O4S/c1-12-3-5-14(6-4-12)17-20-19-15(25-17)11-18-16(22)13-7-9-21(10-8-13)26(2,23)24/h3-6,13H,7-11H2,1-2H3,(H,18,22)
InChIKeyOCABQYHKQNPLNI-UHFFFAOYSA-N
XLogP1.33
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide
CID 110319376
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide
CID 71785534
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 119106274
N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115571323
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxamide
CID 55987416
4-tert-butyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319544
1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 51323360
1-methylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 50946769
N-cyclopropyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 53166922
1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50947861
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 91817927
1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 95945588

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 110319587) is N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide is Cc1ccc(-c2nnc(CNC(=O)C3CCN(S(C)(=O)=O)CC3)o2)cc1.
What is the InChIKey of N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is OCABQYHKQNPLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-12-3-5-14(6-4-12)17-20-19-15(25-17)11-18-16(22)13-7-9-21(10-8-13)26(2,23)24/h3-6,13H,7-11H2,1-2H3,(H,18,22).
What are the key properties of N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 110319587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).