4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione

C15H22N4O5S — CID 119105849

IUPAC4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1
InChIInChI=1S/C15H22N4O5S/c1-11(2)17-7-13(16-10-17)25(22,23)18-5-3-12(4-6-18)19-14(20)8-24-9-15(19)21/h7,10-12H,3-6,8-9H2,1-2H3
InChIKeySXUSXGKCGDKILP-UHFFFAOYSA-N
MW370.43 g/mol
LogP0.00
Rot. Bonds4

About 4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione

4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione (PubChem CID 119105849) has the molecular formula C15H22N4O5S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione
PubChem CID119105849
Molecular FormulaC15H22N4O5S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC Name4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1
InChIInChI=1S/C15H22N4O5S/c1-11(2)17-7-13(16-10-17)25(22,23)18-5-3-12(4-6-18)19-14(20)8-24-9-15(19)21/h7,10-12H,3-6,8-9H2,1-2H3
InChIKeySXUSXGKCGDKILP-UHFFFAOYSA-N
XLogP0.00
TPSA101.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole
CID 121178903
3-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159679
(4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone
CID 53007812
(3aR,7aS)-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99990220
6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one
CID 126941615
6-cyclopropyl-2-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one
CID 126865228
1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(1,1,1-trifluoropropan-2-yl)piperazine
CID 126771185
3-methoxy-8-(1-propan-2-ylimidazol-4-yl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 122255648
1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol
CID 109379638
4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 124590329
(7S)-7-(2-chlorophenyl)-4-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,4-thiazepane
CID 99878735
morpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 93069070

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione?
The IUPAC name of 4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione (CID 119105849) is 4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione.
What is the SMILES notation for 4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione?
The canonical SMILES for 4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione is CC(C)n1cnc(S(=O)(=O)N2CCC(N3C(=O)COCC3=O)CC2)c1.
What is the InChIKey of 4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione?
The InChIKey is SXUSXGKCGDKILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5S/c1-11(2)17-7-13(16-10-17)25(22,23)18-5-3-12(4-6-18)19-14(20)8-24-9-15(19)21/h7,10-12H,3-6,8-9H2,1-2H3.
What are the key properties of 4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione?
4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione has a molecular weight of 370.43 g/mol, XLogP of 0.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione is sourced from PubChem (CID 119105849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).