2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone

C15H22N2O4S — CID 740702

IUPAC2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C15H22N2O4S/c1-2-12-22(19,20)17-10-8-16(9-11-17)15(18)13-21-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeySHVZQDCKBWVGAV-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.95
Rot. Bonds6

About 2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone

2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone (PubChem CID 740702) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
PubChem CID740702
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C15H22N2O4S/c1-2-12-22(19,20)17-10-8-16(9-11-17)15(18)13-21-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeySHVZQDCKBWVGAV-UHFFFAOYSA-N
XLogP0.95
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 6459962
1-[(3-Methylphenoxy)acetyl]-4-(methylsulfonyl)piperazine
CID 750515
1,4-Bis(phenoxyacetyl)piperazine
CID 1008511
1-(4-Ethylsulfonylpiperazin-1-yl)-2-(4-phenylphenoxy)ethanone
CID 1151581
1-(Morpholin-4-yl)-2-phenoxyethan-1-one
CID 575101
Morpholine, 4-((4-methoxyphenoxy)acetyl)-
CID 809046
1-(Phenoxyacetyl)piperazine
CID 771959
1-[4-(Benzylsulfonyl)piperazin-1-yl]-2-phenoxyethanone
CID 649895
4-[(4-Ethoxyphenoxy)acetyl]morpholine
CID 732607
Ethyl 4-{[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonyl}-1-piperazinecarboxylate
CID 1082993
Ethyl 4-({4-[(isopropylamino)sulfonyl]phenoxy}acetyl)-1-piperazinecarboxylate
CID 1083022
1-(Phenoxyacetyl)-4-(2-thienylsulfonyl)piperazine
CID 1245926

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone (CID 740702) is 2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone is CCCS(=O)(=O)N1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of 2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is SHVZQDCKBWVGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-2-12-22(19,20)17-10-8-16(9-11-17)15(18)13-21-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3.
What are the key properties of 2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone?
2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 326.42 g/mol, XLogP of 0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-(4-propylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 740702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).