1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone

C23H31N5O5S — CID 55412972

IUPAC1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(Cc4cc(C)on4)CC3)CC2)cc1
InChIInChI=1S/C23H31N5O5S/c1-18-15-21(24-33-18)16-25-7-9-26(10-8-25)17-23(30)27-11-13-28(14-12-27)34(31,32)22-5-3-20(4-6-22)19(2)29/h3-6,15H,7-14,16-17H2,1-2H3
InChIKeyCXSASXSVNUWTMJ-UHFFFAOYSA-N
MW489.60 g/mol
LogP0.84
Rot. Bonds7

About 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone

1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 55412972) has the molecular formula C23H31N5O5S and a molecular weight of 489.60 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
PubChem CID55412972
Molecular FormulaC23H31N5O5S
Molecular Weight489.60 g/mol
Exact Mass489.20
IUPAC Name1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(Cc4cc(C)on4)CC3)CC2)cc1
InChIInChI=1S/C23H31N5O5S/c1-18-15-21(24-33-18)16-25-7-9-26(10-8-25)17-23(30)27-11-13-28(14-12-27)34(31,32)22-5-3-20(4-6-22)19(2)29/h3-6,15H,7-14,16-17H2,1-2H3
InChIKeyCXSASXSVNUWTMJ-UHFFFAOYSA-N
XLogP0.84
TPSA107.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 9185372
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 71942307
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55470677
3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 27639550
3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 27635164
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110422964
5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110646443
3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119835222
1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pentan-1-one
CID 110422916
1-[4-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 112804268
5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 26424144
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 110610868

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone (CID 55412972) is 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN(Cc4cc(C)on4)CC3)CC2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is CXSASXSVNUWTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O5S/c1-18-15-21(24-33-18)16-25-7-9-26(10-8-25)17-23(30)27-11-13-28(14-12-27)34(31,32)22-5-3-20(4-6-22)19(2)29/h3-6,15H,7-14,16-17H2,1-2H3.
What are the key properties of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone?
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 489.60 g/mol, XLogP of 0.84, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 55412972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).