1-morpholin-4-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone

C14H22N4O4S — CID 20949565

IUPAC1-morpholin-4-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)N1CCOCC1
InChIInChI=1S/C14H22N4O4S/c19-14(17-6-8-22-9-7-17)11-16-10-13(15-12-16)23(20,21)18-4-2-1-3-5-18/h10,12H,1-9,11H2
InChIKeyXQFRJRAIRRFZOL-UHFFFAOYSA-N
MW342.42 g/mol
LogP-0.08
Rot. Bonds4

About 1-morpholin-4-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone

1-morpholin-4-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone (PubChem CID 20949565) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone
PubChem CID20949565
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Name1-morpholin-4-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)N1CCOCC1
InChIInChI=1S/C14H22N4O4S/c19-14(17-6-8-22-9-7-17)11-16-10-13(15-12-16)23(20,21)18-4-2-1-3-5-18/h10,12H,1-9,11H2
InChIKeyXQFRJRAIRRFZOL-UHFFFAOYSA-N
XLogP-0.08
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone (CID 20949565) is 1-morpholin-4-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone is O=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone?
The InChIKey is XQFRJRAIRRFZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c19-14(17-6-8-22-9-7-17)11-16-10-13(15-12-16)23(20,21)18-4-2-1-3-5-18/h10,12H,1-9,11H2.
What are the key properties of 1-morpholin-4-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone?
1-morpholin-4-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone has a molecular weight of 342.42 g/mol, XLogP of -0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone is sourced from PubChem (CID 20949565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).