N-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

C19H24N4O4S — CID 171773895

IUPACN-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESCc1nnc(NC(=O)C2CCN(S(=O)(=O)C3CCc4ccccc4C3)CC2)o1
InChIInChI=1S/C19H24N4O4S/c1-13-21-22-19(27-13)20-18(24)15-8-10-23(11-9-15)28(25,26)17-7-6-14-4-2-3-5-16(14)12-17/h2-5,15,17H,6-12H2,1H3,(H,20,22,24)
InChIKeyNOTHHHFWZBNHOI-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.92
Rot. Bonds4

About N-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

N-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 171773895) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
PubChem CID171773895
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC NameN-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESCc1nnc(NC(=O)C2CCN(S(=O)(=O)C3CCc4ccccc4C3)CC2)o1
InChIInChI=1S/C19H24N4O4S/c1-13-21-22-19(27-13)20-18(24)15-8-10-23(11-9-15)28(25,26)17-7-6-14-4-2-3-5-16(14)12-17/h2-5,15,17H,6-12H2,1H3,(H,20,22,24)
InChIKeyNOTHHHFWZBNHOI-UHFFFAOYSA-N
XLogP1.92
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8831496
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8903061
1-ethylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8891344
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 43976795
1-(4-methylphenyl)sulfonyl-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 44921553
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16803635
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 43973293
1-(4-methylphenyl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 16861405
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16824114
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 43977669
1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 16824132
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 43972272

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (CID 171773895) is N-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is Cc1nnc(NC(=O)C2CCN(S(=O)(=O)C3CCc4ccccc4C3)CC2)o1.
What is the InChIKey of N-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is NOTHHHFWZBNHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-13-21-22-19(27-13)20-18(24)15-8-10-23(11-9-15)28(25,26)17-7-6-14-4-2-3-5-16(14)12-17/h2-5,15,17H,6-12H2,1H3,(H,20,22,24).
What are the key properties of N-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
N-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 171773895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).