1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide

C24H34N4O5S — CID 31393259

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
SMILESCc1ccc([C@@H](CN2CCOCC2)NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1
InChIInChI=1S/C24H34N4O5S/c1-17-4-6-20(7-5-17)22(16-27-12-14-32-15-13-27)25-24(29)21-8-10-28(11-9-21)34(30,31)23-18(2)26-33-19(23)3/h4-7,21-22H,8-16H2,1-3H3,(H,25,29)/t22-/m1/s1
InChIKeyUHIIVGNBQHMTBZ-JOCHJYFZSA-N
MW490.63 g/mol
LogP2.19
Rot. Bonds7

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide (PubChem CID 31393259) has the molecular formula C24H34N4O5S and a molecular weight of 490.63 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
PubChem CID31393259
Molecular FormulaC24H34N4O5S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
SMILESCc1ccc([C@@H](CN2CCOCC2)NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1
InChIInChI=1S/C24H34N4O5S/c1-17-4-6-20(7-5-17)22(16-27-12-14-32-15-13-27)25-24(29)21-8-10-28(11-9-21)34(30,31)23-18(2)26-33-19(23)3/h4-7,21-22H,8-16H2,1-3H3,(H,25,29)/t22-/m1/s1
InChIKeyUHIIVGNBQHMTBZ-JOCHJYFZSA-N
XLogP2.19
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 27539426
1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2S)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide
CID 92875152
N-[(2S)-butan-2-yl]-1-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
CID 92875129
4-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 31370513
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 17481326
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
CID 9087310
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 25350423
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
N-[1-(4-methylphenyl)propyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide
CID 42940269
N-[(3,5-difluorophenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 55596929
N-[3H-benzimidazol-5-yl(phenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 24621592
N-[cyano-(2-fluorophenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 56572242

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide (CID 31393259) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide is Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide?
The InChIKey is UHIIVGNBQHMTBZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H34N4O5S/c1-17-4-6-20(7-5-17)22(16-27-12-14-32-15-13-27)25-24(29)21-8-10-28(11-9-21)34(30,31)23-18(2)26-33-19(23)3/h4-7,21-22H,8-16H2,1-3H3,(H,25,29)/t22-/m1/s1.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 31393259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).