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

C22H23ClN4O2S — CID 38153714

IUPAC1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
SMILESCSc1cccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4Cl)no3)CC2)c1
InChIInChI=1S/C22H23ClN4O2S/c1-30-17-6-4-5-16(13-17)24-22(28)15-9-11-27(12-10-15)14-20-25-21(26-29-20)18-7-2-3-8-19(18)23/h2-8,13,15H,9-12,14H2,1H3,(H,24,28)
InChIKeyGXTGJEJRWBHEJG-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.96
Rot. Bonds6

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

1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide (PubChem CID 38153714) has the molecular formula C22H23ClN4O2S and a molecular weight of 442.97 g/mol. Its IUPAC name is 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
PubChem CID38153714
Molecular FormulaC22H23ClN4O2S
Molecular Weight442.97 g/mol
Exact Mass442.12
IUPAC Name1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
SMILESCSc1cccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4Cl)no3)CC2)c1
InChIInChI=1S/C22H23ClN4O2S/c1-30-17-6-4-5-16(13-17)24-22(28)15-9-11-27(12-10-15)14-20-25-21(26-29-20)18-7-2-3-8-19(18)23/h2-8,13,15H,9-12,14H2,1H3,(H,24,28)
InChIKeyGXTGJEJRWBHEJG-UHFFFAOYSA-N
XLogP4.96
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylsulfanylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928721
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 38144131
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide
CID 38154966
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 38153459
N-(3-chlorophenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141601
N-(4-chlorophenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928217
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide
CID 43928297
butyl 4-[[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate
CID 38154047
methyl 3-[[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]-4-methylbenzoate
CID 38153691
N-(3-methylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141561
N-(4-carbamoylphenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928410
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 38154935

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide (CID 38153714) is 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide is CSc1cccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4Cl)no3)CC2)c1.
What is the InChIKey of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
The InChIKey is GXTGJEJRWBHEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2S/c1-30-17-6-4-5-16(13-17)24-22(28)15-9-11-27(12-10-15)14-20-25-21(26-29-20)18-7-2-3-8-19(18)23/h2-8,13,15H,9-12,14H2,1H3,(H,24,28).
What are the key properties of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide has a molecular weight of 442.97 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-methylsulfanylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 38153714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).