4-[(2-ethylimidazol-1-yl)methyl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine

C20H27N3O2S — CID 90494156

IUPAC4-[(2-ethylimidazol-1-yl)methyl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine
SMILESCCc1nccn1CC1CCN(S(=O)(=O)/C=C/c2ccc(C)cc2)CC1
InChIInChI=1S/C20H27N3O2S/c1-3-20-21-11-14-22(20)16-19-8-12-23(13-9-19)26(24,25)15-10-18-6-4-17(2)5-7-18/h4-7,10-11,14-15,19H,3,8-9,12-13,16H2,1-2H3/b15-10+
InChIKeyDMXQGXQRSSUEDP-XNTDXEJSSA-N
MW373.52 g/mol
LogP3.47
Rot. Bonds6

About 4-[(2-ethylimidazol-1-yl)methyl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine

4-[(2-ethylimidazol-1-yl)methyl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine (PubChem CID 90494156) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 4-[(2-ethylimidazol-1-yl)methyl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-[(2-ethylimidazol-1-yl)methyl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine
PubChem CID90494156
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name4-[(2-ethylimidazol-1-yl)methyl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine
SMILESCCc1nccn1CC1CCN(S(=O)(=O)/C=C/c2ccc(C)cc2)CC1
InChIInChI=1S/C20H27N3O2S/c1-3-20-21-11-14-22(20)16-19-8-12-23(13-9-19)26(24,25)15-10-18-6-4-17(2)5-7-18/h4-7,10-11,14-15,19H,3,8-9,12-13,16H2,1-2H3/b15-10+
InChIKeyDMXQGXQRSSUEDP-XNTDXEJSSA-N
XLogP3.47
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90492782
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine
CID 90494146
4-[(2-ethylimidazol-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 90494143
4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 90494131
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(triazol-1-yl)piperidine
CID 121151438
4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine
CID 90494036
2-ethyl-1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole
CID 164877049
(E)-3-(3,4-dimethoxyphenyl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]prop-2-en-1-one
CID 90492770
2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione
CID 90494027
2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 90493325
N-(2,4-dimethylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90493955

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylimidazol-1-yl)methyl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine?
The IUPAC name of 4-[(2-ethylimidazol-1-yl)methyl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine (CID 90494156) is 4-[(2-ethylimidazol-1-yl)methyl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine.
What is the SMILES notation for 4-[(2-ethylimidazol-1-yl)methyl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine?
The canonical SMILES for 4-[(2-ethylimidazol-1-yl)methyl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine is CCc1nccn1CC1CCN(S(=O)(=O)/C=C/c2ccc(C)cc2)CC1.
What is the InChIKey of 4-[(2-ethylimidazol-1-yl)methyl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine?
The InChIKey is DMXQGXQRSSUEDP-XNTDXEJSSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-3-20-21-11-14-22(20)16-19-8-12-23(13-9-19)26(24,25)15-10-18-6-4-17(2)5-7-18/h4-7,10-11,14-15,19H,3,8-9,12-13,16H2,1-2H3/b15-10+.
What are the key properties of 4-[(2-ethylimidazol-1-yl)methyl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine?
4-[(2-ethylimidazol-1-yl)methyl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine has a molecular weight of 373.52 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylimidazol-1-yl)methyl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine is sourced from PubChem (CID 90494156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).