1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide

C26H30FN5O6S — CID 43931748

IUPAC1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C26H30FN5O6S/c1-36-23-9-8-21(39(34,35)32-11-13-37-14-12-32)15-22(23)28-26(33)19-3-2-10-31(16-19)17-24-29-25(30-38-24)18-4-6-20(27)7-5-18/h4-9,15,19H,2-3,10-14,16-17H2,1H3,(H,28,33)
InChIKeyQUBWLIYJGRHXEM-UHFFFAOYSA-N
MW559.62 g/mol
LogP2.76
Rot. Bonds8

About 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide

1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide (PubChem CID 43931748) has the molecular formula C26H30FN5O6S and a molecular weight of 559.62 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide
PubChem CID43931748
Molecular FormulaC26H30FN5O6S
Molecular Weight559.62 g/mol
Exact Mass559.19
IUPAC Name1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C26H30FN5O6S/c1-36-23-9-8-21(39(34,35)32-11-13-37-14-12-32)15-22(23)28-26(33)19-3-2-10-31(16-19)17-24-29-25(30-38-24)18-4-6-20(27)7-5-18/h4-9,15,19H,2-3,10-14,16-17H2,1H3,(H,28,33)
InChIKeyQUBWLIYJGRHXEM-UHFFFAOYSA-N
XLogP2.76
TPSA127.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.62
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929683
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 43933953
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935135
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931279
N-(2,5-dimethoxyphenyl)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931166
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide
CID 43933308
N-(4-fluorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930801
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 43932683
dimethyl 5-[[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 43931717
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43931688
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43931271
(3S)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 26773029

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide (CID 43931748) is 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide?
The InChIKey is QUBWLIYJGRHXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O6S/c1-36-23-9-8-21(39(34,35)32-11-13-37-14-12-32)15-22(23)28-26(33)19-3-2-10-31(16-19)17-24-29-25(30-38-24)18-4-6-20(27)7-5-18/h4-9,15,19H,2-3,10-14,16-17H2,1H3,(H,28,33).
What are the key properties of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide?
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide has a molecular weight of 559.62 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43931748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).