2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-morpholin-4-ylethanone

C15H24N4O4S — CID 20949716

IUPAC2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-morpholin-4-ylethanone
SMILESCC1CCN(S(=O)(=O)c2cn(CC(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C15H24N4O4S/c1-13-2-4-19(5-3-13)24(21,22)14-10-17(12-16-14)11-15(20)18-6-8-23-9-7-18/h10,12-13H,2-9,11H2,1H3
InChIKeyAIAPTFLLRBNBNB-UHFFFAOYSA-N
MW356.45 g/mol
LogP0.16
Rot. Bonds4

About 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-morpholin-4-ylethanone

2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 20949716) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-morpholin-4-ylethanone
PubChem CID20949716
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC Name2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-morpholin-4-ylethanone
SMILESCC1CCN(S(=O)(=O)c2cn(CC(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C15H24N4O4S/c1-13-2-4-19(5-3-13)24(21,22)14-10-17(12-16-14)11-15(20)18-6-8-23-9-7-18/h10,12-13H,2-9,11H2,1H3
InChIKeyAIAPTFLLRBNBNB-UHFFFAOYSA-N
XLogP0.16
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-{1-[(1-Methyl-1H-imidazol-4-YL)sulfonyl]piperidin-4-YL}-N-(oxan-4-YL)propanamide
CID 91906140
N-{1-[(1-Methyl-1H-imidazol-4-YL)sulfonyl]piperidin-4-YL}-N-(oxan-4-YL)cyclopropanecarboxamide
CID 91906222
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide
CID 56229519
[3-(2,2-Difluoroethoxy)azetidin-1-yl]-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone
CID 72108138
4-Fluoro-N-(2-methoxyethyl)-1-[(1-methyl-1H-imidazol-4-YL)sulfonyl]piperidine-4-carboxamide
CID 124079016
4-{1-[(1,2-Dimethyl-1H-imidazol-4-YL)sulfonyl]-3-fluoropiperidine-3-carbonyl}morpholine
CID 132338884
4-{3-Fluoro-1-[(1-methyl-1H-imidazol-4-YL)sulfonyl]piperidine-3-carbonyl}morpholine
CID 132338887
4-{4-Fluoro-1-[(1-methyl-1H-imidazol-4-YL)sulfonyl]piperidine-4-carbonyl}morpholine
CID 132443809
1-(4-Methylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone
CID 20947102
1-(4-Methylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone
CID 20949491
1-(Piperidin-1-YL)-2-[4-(piperidine-1-sulfonyl)-1H-imidazol-1-YL]ethan-1-one
CID 20949564
1-Morpholin-4-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone
CID 20949565

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-morpholin-4-ylethanone (CID 20949716) is 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-morpholin-4-ylethanone is CC1CCN(S(=O)(=O)c2cn(CC(=O)N3CCOCC3)cn2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is AIAPTFLLRBNBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-13-2-4-19(5-3-13)24(21,22)14-10-17(12-16-14)11-15(20)18-6-8-23-9-7-18/h10,12-13H,2-9,11H2,1H3.
What are the key properties of 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-morpholin-4-ylethanone?
2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 356.45 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 20949716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).