1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

C14H20N2O4S — CID 858313

IUPAC1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C14H20N2O4S/c1-3-14(17)15-8-10-16(11-9-15)21(18,19)13-6-4-12(20-2)5-7-13/h4-7H,3,8-11H2,1-2H3
InChIKeyDSPGNJKAJAZTSA-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.94
Rot. Bonds4

About 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 858313) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID858313
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C14H20N2O4S/c1-3-14(17)15-8-10-16(11-9-15)21(18,19)13-6-4-12(20-2)5-7-13/h4-7H,3,8-11H2,1-2H3
InChIKeyDSPGNJKAJAZTSA-UHFFFAOYSA-N
XLogP0.94
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-((4-Methoxyphenyl)sulfonyl)piperazine
CID 797560
N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid
CID 448002
1-[(4-Methoxyphenyl)sulfonyl]-4-methylpiperazine
CID 676048
1,4-Bis[(4-methoxyphenyl)sulfonyl]piperazine
CID 1104493
N-hydroxy-2-[(4-methoxybenzene)[2-(morpholin-4-yl)ethyl]sulfonamido]acetamide
CID 10738103
4-acetyl-N-hydroxy-1-(4-methoxyphenylsulfonyl)piperazine-2-carboxamide
CID 10522311
N-hydroxy-1-(4-methoxyphenylsulfonyl)piperidine-2-carboxamide
CID 10829071
Dasa-23
CID 25243725
1-[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-3-methylbutan-1-one
CID 717180
1-Ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-(4-Methoxy-benzenesulfonyl)-2-methyl-piperidine
CID 2843045
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzene-1-sulfonamide
CID 715058

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 858313) is 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is DSPGNJKAJAZTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-3-14(17)15-8-10-16(11-9-15)21(18,19)13-6-4-12(20-2)5-7-13/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 312.39 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 858313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).