1-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione

C16H24N4O4S — CID 90493899

IUPAC1-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C16H24N4O4S/c21-15-2-1-3-16(22)20(15)10-11-25(23,24)19-7-4-14(5-8-19)12-18-9-6-17-13-18/h6,9,13-14H,1-5,7-8,10-12H2
InChIKeyZYCDUYHHJVPEAF-UHFFFAOYSA-N
MW368.46 g/mol
LogP0.46
Rot. Bonds6

About 1-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione

1-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione (PubChem CID 90493899) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione
PubChem CID90493899
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name1-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C16H24N4O4S/c21-15-2-1-3-16(22)20(15)10-11-25(23,24)19-7-4-14(5-8-19)12-18-9-6-17-13-18/h6,9,13-14H,1-5,7-8,10-12H2
InChIKeyZYCDUYHHJVPEAF-UHFFFAOYSA-N
XLogP0.46
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine
CID 95982272
1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine
CID 90493928
3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine
CID 90493888
4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
CID 90493883
1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
CID 90493930
4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 71781099
1-(cyclooctylmethyl)imidazole
CID 20550238
2-[[4-(imidazol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione
CID 70051606
1-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 122336212
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
CID 90493901
1-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione
CID 27377683
1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione
CID 90638515

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione (CID 90493899) is 1-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CCS(=O)(=O)N1CCC(Cn2ccnc2)CC1.
What is the InChIKey of 1-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The InChIKey is ZYCDUYHHJVPEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c21-15-2-1-3-16(22)20(15)10-11-25(23,24)19-7-4-14(5-8-19)12-18-9-6-17-13-18/h6,9,13-14H,1-5,7-8,10-12H2.
What are the key properties of 1-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione?
1-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione has a molecular weight of 368.46 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione is sourced from PubChem (CID 90493899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).