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

C17H21ClN4O4S — CID 50945068

IUPACN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
SMILESCN(Cc1nc(-c2ccccc2Cl)no1)C(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C17H21ClN4O4S/c1-21(17(23)12-6-5-9-22(10-12)27(2,24)25)11-15-19-16(20-26-15)13-7-3-4-8-14(13)18/h3-4,7-8,12H,5-6,9-11H2,1-2H3
InChIKeyUUENRQIALPAXFU-UHFFFAOYSA-N
MW412.90 g/mol
LogP2.02
Rot. Bonds5

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

N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 50945068) has the molecular formula C17H21ClN4O4S and a molecular weight of 412.90 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID50945068
Molecular FormulaC17H21ClN4O4S
Molecular Weight412.90 g/mol
Exact Mass412.10
IUPAC NameN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
SMILESCN(Cc1nc(-c2ccccc2Cl)no1)C(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C17H21ClN4O4S/c1-21(17(23)12-6-5-9-22(10-12)27(2,24)25)11-15-19-16(20-26-15)13-7-3-4-8-14(13)18/h3-4,7-8,12H,5-6,9-11H2,1-2H3
InChIKeyUUENRQIALPAXFU-UHFFFAOYSA-N
XLogP2.02
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 53277926
(3R)-N-methyl-1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 95119116
1-(dimethylsulfamoyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 132663033
N-methyl-1-methylsulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50945556
(3S)-1-(benzenesulfonyl)-N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 100663207
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168155
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 132658204
N-benzyl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 43934491
(3R)-1-(benzenesulfonyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 100662947
N-methyl-1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50946857
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide
CID 55555696
1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 100657973

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide (CID 50945068) is N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide is CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is UUENRQIALPAXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O4S/c1-21(17(23)12-6-5-9-22(10-12)27(2,24)25)11-15-19-16(20-26-15)13-7-3-4-8-14(13)18/h3-4,7-8,12H,5-6,9-11H2,1-2H3.
What are the key properties of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide?
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 412.90 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 50945068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).