1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]ethanone

C22H31N5O4S — CID 20949644

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cn2cnc(S(=O)(=O)N3CCC(C)CC3)c2)CC1
InChIInChI=1S/C22H31N5O4S/c1-18-7-9-27(10-8-18)32(29,30)21-15-24(17-23-21)16-22(28)26-13-11-25(12-14-26)19-5-3-4-6-20(19)31-2/h3-6,15,17-18H,7-14,16H2,1-2H3
InChIKeyLKOKASSQLAXIQB-UHFFFAOYSA-N
MW461.59 g/mol
LogP1.66
Rot. Bonds6

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]ethanone

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]ethanone (PubChem CID 20949644) has the molecular formula C22H31N5O4S and a molecular weight of 461.59 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]ethanone
PubChem CID20949644
Molecular FormulaC22H31N5O4S
Molecular Weight461.59 g/mol
Exact Mass461.21
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cn2cnc(S(=O)(=O)N3CCC(C)CC3)c2)CC1
InChIInChI=1S/C22H31N5O4S/c1-18-7-9-27(10-8-18)32(29,30)21-15-24(17-23-21)16-22(28)26-13-11-25(12-14-26)19-5-3-4-6-20(19)31-2/h3-6,15,17-18H,7-14,16H2,1-2H3
InChIKeyLKOKASSQLAXIQB-UHFFFAOYSA-N
XLogP1.66
TPSA87.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122160611
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108959153
N-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947129
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 41337436
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]ethanone
CID 20911116
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
N-(4-fluoro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
CID 20949705
5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-6-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 98183270
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-5-(4-methylpiperazin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-one
CID 46505204
methyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]triazole-4-carboxylate
CID 122241532
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-5-morpholin-4-ylsulfonylthieno[2,3-d]pyrimidin-4-one
CID 15994132
2-isocyano-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 12017077

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]ethanone?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]ethanone (CID 20949644) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]ethanone is COc1ccccc1N1CCN(C(=O)Cn2cnc(S(=O)(=O)N3CCC(C)CC3)c2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]ethanone?
The InChIKey is LKOKASSQLAXIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4S/c1-18-7-9-27(10-8-18)32(29,30)21-15-24(17-23-21)16-22(28)26-13-11-25(12-14-26)19-5-3-4-6-20(19)31-2/h3-6,15,17-18H,7-14,16H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]ethanone?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]ethanone has a molecular weight of 461.59 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]ethanone is sourced from PubChem (CID 20949644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).