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

C25H29ClN4O4S — CID 43928184

IUPAC1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C25H29ClN4O4S/c1-3-22(17-6-10-21(11-7-17)35(2,32)33)27-25(31)19-12-14-30(15-13-19)16-23-28-24(29-34-23)18-4-8-20(26)9-5-18/h4-11,19,22H,3,12-16H2,1-2H3,(H,27,31)
InChIKeyVCSVEIYYGLUZCW-UHFFFAOYSA-N
MW517.05 g/mol
LogP4.27
Rot. Bonds8

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

1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide (PubChem CID 43928184) has the molecular formula C25H29ClN4O4S and a molecular weight of 517.05 g/mol. Its IUPAC name is 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
PubChem CID43928184
Molecular FormulaC25H29ClN4O4S
Molecular Weight517.05 g/mol
Exact Mass516.16
IUPAC Name1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C25H29ClN4O4S/c1-3-22(17-6-10-21(11-7-17)35(2,32)33)27-25(31)19-12-14-30(15-13-19)16-23-28-24(29-34-23)18-4-8-20(26)9-5-18/h4-11,19,22H,3,12-16H2,1-2H3,(H,27,31)
InChIKeyVCSVEIYYGLUZCW-UHFFFAOYSA-N
XLogP4.27
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.05
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide
CID 43932314
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 43927484
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 43927942
N-[1-(3,4-dimethoxyphenyl)propyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926995
1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
CID 46766881
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide
CID 43928078
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethylphenyl)propyl]piperidine-3-carboxamide
CID 43933582
N-[1-(4-methoxyphenyl)propyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926885
1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
CID 94014212
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 38157005
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 38150116
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cycloheptylpiperidine-4-carboxamide
CID 38157346

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide (CID 43928184) is 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide is CCC(NC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is VCSVEIYYGLUZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O4S/c1-3-22(17-6-10-21(11-7-17)35(2,32)33)27-25(31)19-12-14-30(15-13-19)16-23-28-24(29-34-23)18-4-8-20(26)9-5-18/h4-11,19,22H,3,12-16H2,1-2H3,(H,27,31).
What are the key properties of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide?
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 517.05 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 43928184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).