[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone

C15H24N4O4S — CID 53007837

IUPAC[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESCCn1cnc(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)c1
InChIInChI=1S/C15H24N4O4S/c1-2-17-11-14(16-12-17)24(21,22)19-5-3-4-13(10-19)15(20)18-6-8-23-9-7-18/h11-13H,2-10H2,1H3
InChIKeyVRNWHNCEJDRGPX-UHFFFAOYSA-N
MW356.45 g/mol
LogP0.16
Rot. Bonds4

About [1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone

[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 53007837) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is [1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID53007837
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC Name[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESCCn1cnc(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)c1
InChIInChI=1S/C15H24N4O4S/c1-2-17-11-14(16-12-17)24(21,22)19-5-3-4-13(10-19)15(20)18-6-8-23-9-7-18/h11-13H,2-10H2,1H3
InChIKeyVRNWHNCEJDRGPX-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

[(3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 92750491
[(3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 93069029
morpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 93069070
methyl (3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 79476978
[(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 95073364
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 95073386
1-(1-ethylimidazol-4-yl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 79373841
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 95073333
(4-ethylpiperazin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 53007851
(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95073354
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95073353
[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 1090398

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone (CID 53007837) is [1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone is CCn1cnc(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)c1.
What is the InChIKey of [1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is VRNWHNCEJDRGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-2-17-11-14(16-12-17)24(21,22)19-5-3-4-13(10-19)15(20)18-6-8-23-9-7-18/h11-13H,2-10H2,1H3.
What are the key properties of [1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone 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 [1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53007837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).