1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide

C23H26ClN5O4S — CID 43933777

IUPAC1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
SMILESCN(c1cccc(NC(=O)C2CCCN(Cc3nc(-c4ccccc4Cl)no3)C2)c1)S(C)(=O)=O
InChIInChI=1S/C23H26ClN5O4S/c1-28(34(2,31)32)18-9-5-8-17(13-18)25-23(30)16-7-6-12-29(14-16)15-21-26-22(27-33-21)19-10-3-4-11-20(19)24/h3-5,8-11,13,16H,6-7,12,14-15H2,1-2H3,(H,25,30)
InChIKeyQSPQZBRQEYTBGY-UHFFFAOYSA-N
MW504.01 g/mol
LogP3.64
Rot. Bonds7

About 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide

1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide (PubChem CID 43933777) has the molecular formula C23H26ClN5O4S and a molecular weight of 504.01 g/mol. Its IUPAC name is 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
PubChem CID43933777
Molecular FormulaC23H26ClN5O4S
Molecular Weight504.01 g/mol
Exact Mass503.14
IUPAC Name1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
SMILESCN(c1cccc(NC(=O)C2CCCN(Cc3nc(-c4ccccc4Cl)no3)C2)c1)S(C)(=O)=O
InChIInChI=1S/C23H26ClN5O4S/c1-28(34(2,31)32)18-9-5-8-17(13-18)25-23(30)16-7-6-12-29(14-16)15-21-26-22(27-33-21)19-10-3-4-11-20(19)24/h3-5,8-11,13,16H,6-7,12,14-15H2,1-2H3,(H,25,30)
InChIKeyQSPQZBRQEYTBGY-UHFFFAOYSA-N
XLogP3.64
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.01
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromo-3-methylphenyl)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43933730
1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
CID 43923883
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 43933654
N-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929627
methyl 4-[[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]amino]benzoate
CID 43933682
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 43933683
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide
CID 43933801
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43933632
ethyl 3-[[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]amino]benzoate
CID 43934749
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 43933953
N-(3-acetamidophenyl)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934264
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentylpiperidine-3-carboxamide
CID 43933796

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide (CID 43933777) is 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide is CN(c1cccc(NC(=O)C2CCCN(Cc3nc(-c4ccccc4Cl)no3)C2)c1)S(C)(=O)=O.
What is the InChIKey of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide?
The InChIKey is QSPQZBRQEYTBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O4S/c1-28(34(2,31)32)18-9-5-8-17(13-18)25-23(30)16-7-6-12-29(14-16)15-21-26-22(27-33-21)19-10-3-4-11-20(19)24/h3-5,8-11,13,16H,6-7,12,14-15H2,1-2H3,(H,25,30).
What are the key properties of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide?
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide has a molecular weight of 504.01 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43933777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).