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

C27H33N5O6S — CID 43929683

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCN(Cc2nc(-c3ccccc3C)no2)C1
InChIInChI=1S/C27H33N5O6S/c1-19-6-3-4-8-22(19)26-29-25(38-30-26)18-31-11-5-7-20(17-31)27(33)28-23-16-21(9-10-24(23)36-2)39(34,35)32-12-14-37-15-13-32/h3-4,6,8-10,16,20H,5,7,11-15,17-18H2,1-2H3,(H,28,33)
InChIKeyBMCZJSUBVLEWFV-UHFFFAOYSA-N
MW555.66 g/mol
LogP2.93
Rot. Bonds8

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

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 43929683) has the molecular formula C27H33N5O6S and a molecular weight of 555.66 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID43929683
Molecular FormulaC27H33N5O6S
Molecular Weight555.66 g/mol
Exact Mass555.22
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCN(Cc2nc(-c3ccccc3C)no2)C1
InChIInChI=1S/C27H33N5O6S/c1-19-6-3-4-8-22(19)26-29-25(38-30-26)18-31-11-5-7-20(17-31)27(33)28-23-16-21(9-10-24(23)36-2)39(34,35)32-12-14-37-15-13-32/h3-4,6,8-10,16,20H,5,7,11-15,17-18H2,1-2H3,(H,28,33)
InChIKeyBMCZJSUBVLEWFV-UHFFFAOYSA-N
XLogP2.93
TPSA127.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.66
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 43933953
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide
CID 43931748
N-(4-chloro-2,5-dimethoxyphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929651
N-(2-methoxy-5-nitrophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929591
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-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38138786
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide
CID 43929643
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43929847
N-(4-iodo-2-methylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929592
N-(4-chloro-2,5-dimethoxyphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38138113
N-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929627
N-(2-methoxy-5-nitrophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38137799

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (CID 43929683) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCN(Cc2nc(-c3ccccc3C)no2)C1.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is BMCZJSUBVLEWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O6S/c1-19-6-3-4-8-22(19)26-29-25(38-30-26)18-31-11-5-7-20(17-31)27(33)28-23-16-21(9-10-24(23)36-2)39(34,35)32-12-14-37-15-13-32/h3-4,6,8-10,16,20H,5,7,11-15,17-18H2,1-2H3,(H,28,33).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 555.66 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43929683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).