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

C19H24N4O4S — CID 71961089

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-methylphenyl)ethenylsulfonyl]piperidine-4-carboxamide
SMILESCc1ccc(C=CS(=O)(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)cc1
InChIInChI=1S/C19H24N4O4S/c1-14-3-5-16(6-4-14)9-12-28(25,26)23-10-7-17(8-11-23)19(24)20-13-18-21-15(2)22-27-18/h3-6,9,12,17H,7-8,10-11,13H2,1-2H3,(H,20,24)
InChIKeyKBETVZQVMODOMU-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.02
Rot. Bonds6

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-methylphenyl)ethenylsulfonyl]piperidine-4-carboxamide (PubChem CID 71961089) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-methylphenyl)ethenylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-methylphenyl)ethenylsulfonyl]piperidine-4-carboxamide
PubChem CID71961089
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-methylphenyl)ethenylsulfonyl]piperidine-4-carboxamide
SMILESCc1ccc(C=CS(=O)(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)cc1
InChIInChI=1S/C19H24N4O4S/c1-14-3-5-16(6-4-14)9-12-28(25,26)23-10-7-17(8-11-23)19(24)20-13-18-21-15(2)22-27-18/h3-6,9,12,17H,7-8,10-11,13H2,1-2H3,(H,20,24)
InChIKeyKBETVZQVMODOMU-UHFFFAOYSA-N
XLogP2.02
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 34779176
N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)-1-(3-(phenylthio)propanoyl)piperidine-4-carboxamide
CID 56724097
N-[(3S,4S)-1-(benzylsulfonyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydro-3-pyridinyl]-2-methoxyacetamide
CID 91915773
N-[4-(3-Methyl-1,2,4-oxadiazol-5-YL)-1-phenylmethanesulfonylpiperidin-3-YL]cyclopropanecarboxamide
CID 124072114
1-((2-fluorophenyl)sulfonyl)-N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)piperidine-4-carboxamide
CID 56724155
1-(3-fluorophenyl)-N-[(3S)-1-[[3-[(1-formyl-2-methyl-5,6-dihydro-4H-pyrimidin-5-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-oxoazepan-3-yl]methanesulfonamide
CID 59048406
1-(3-fluorophenyl)-N-[1-[[3-[(1-formyl-2-methyl-5,6-dihydro-4H-pyrimidin-5-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-oxoazepan-3-yl]methanesulfonamide
CID 22985337
N-[2-(2-fluorophenyl)ethyl]-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 45899579
N-[2-(2-fluorophenyl)ethyl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 47039596
1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55827073
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55890842
1-(2,5-difluorophenyl)sulfonyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 56219142

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-methylphenyl)ethenylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-methylphenyl)ethenylsulfonyl]piperidine-4-carboxamide (CID 71961089) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-methylphenyl)ethenylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-methylphenyl)ethenylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-methylphenyl)ethenylsulfonyl]piperidine-4-carboxamide is Cc1ccc(C=CS(=O)(=O)N2CCC(C(=O)NCc3nc(C)no3)CC2)cc1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-methylphenyl)ethenylsulfonyl]piperidine-4-carboxamide?
The InChIKey is KBETVZQVMODOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-14-3-5-16(6-4-14)9-12-28(25,26)23-10-7-17(8-11-23)19(24)20-13-18-21-15(2)22-27-18/h3-6,9,12,17H,7-8,10-11,13H2,1-2H3,(H,20,24).
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-methylphenyl)ethenylsulfonyl]piperidine-4-carboxamide?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-methylphenyl)ethenylsulfonyl]piperidine-4-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[2-(4-methylphenyl)ethenylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 71961089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).