2-ethyl-1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidine

C22H33N3O2S — CID 45169313

IUPAC2-ethyl-1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidine
SMILESCCC1CCCCN1Cc1cnc(S(=O)(=O)C(C)C)n1CCc1ccccc1
InChIInChI=1S/C22H33N3O2S/c1-4-20-12-8-9-14-24(20)17-21-16-23-22(28(26,27)18(2)3)25(21)15-13-19-10-6-5-7-11-19/h5-7,10-11,16,18,20H,4,8-9,12-15,17H2,1-3H3
InChIKeyCJSQAPQDPHXMHW-UHFFFAOYSA-N
MW403.59 g/mol
LogP4.07
Rot. Bonds8

About 2-ethyl-1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidine

2-ethyl-1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidine (PubChem CID 45169313) has the molecular formula C22H33N3O2S and a molecular weight of 403.59 g/mol. Its IUPAC name is 2-ethyl-1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name2-ethyl-1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidine
PubChem CID45169313
Molecular FormulaC22H33N3O2S
Molecular Weight403.59 g/mol
Exact Mass403.23
IUPAC Name2-ethyl-1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidine
SMILESCCC1CCCCN1Cc1cnc(S(=O)(=O)C(C)C)n1CCc1ccccc1
InChIInChI=1S/C22H33N3O2S/c1-4-20-12-8-9-14-24(20)17-21-16-23-22(28(26,27)18(2)3)25(21)15-13-19-10-6-5-7-11-19/h5-7,10-11,16,18,20H,4,8-9,12-15,17H2,1-3H3
InChIKeyCJSQAPQDPHXMHW-UHFFFAOYSA-N
XLogP4.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.59
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-4-yl]propan-1-ol
CID 42517632
(3S)-3-(methoxymethyl)-1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidine
CID 42510396
[1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol
CID 45250713
2-[(2S)-1-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 25286200
N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]propan-1-amine
CID 42095342
(3S)-1-ethyl-4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3-methylpiperazin-2-one
CID 42287099
[1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol
CID 45221955
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
1-[1-(2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338750
1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3-(methoxymethyl)piperidine
CID 45205196
2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine
CID 95869234
N-benzyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-propylbenzenesulfonamide
CID 51353457

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidine?
The IUPAC name of 2-ethyl-1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidine (CID 45169313) is 2-ethyl-1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidine.
What is the SMILES notation for 2-ethyl-1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidine?
The canonical SMILES for 2-ethyl-1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidine is CCC1CCCCN1Cc1cnc(S(=O)(=O)C(C)C)n1CCc1ccccc1.
What is the InChIKey of 2-ethyl-1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidine?
The InChIKey is CJSQAPQDPHXMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2S/c1-4-20-12-8-9-14-24(20)17-21-16-23-22(28(26,27)18(2)3)25(21)15-13-19-10-6-5-7-11-19/h5-7,10-11,16,18,20H,4,8-9,12-15,17H2,1-3H3.
What are the key properties of 2-ethyl-1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidine?
2-ethyl-1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidine has a molecular weight of 403.59 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidine is sourced from PubChem (CID 45169313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).