3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one

C14H20N2O4S — CID 110644975

IUPAC3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one
SMILESCCCS(=O)(=O)N1CCNC(=O)C1c1ccc(OC)cc1
InChIInChI=1S/C14H20N2O4S/c1-3-10-21(18,19)16-9-8-15-14(17)13(16)11-4-6-12(20-2)7-5-11/h4-7,13H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyBZZLAEHFDCUOKY-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.91
Rot. Bonds5

About 3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one

3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one (PubChem CID 110644975) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one
PubChem CID110644975
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one
SMILESCCCS(=O)(=O)N1CCNC(=O)C1c1ccc(OC)cc1
InChIInChI=1S/C14H20N2O4S/c1-3-10-21(18,19)16-9-8-15-14(17)13(16)11-4-6-12(20-2)7-5-11/h4-7,13H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyBZZLAEHFDCUOKY-UHFFFAOYSA-N
XLogP0.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one
CID 110657423
4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one
CID 110420458
4-(4-methoxy-2-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one
CID 110420094
3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one
CID 110419968
3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one
CID 110420424
4-butylsulfonyl-3-(2-fluorophenyl)piperazin-2-one
CID 110657069
4-(3,5-dimethoxybenzoyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644929
4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110420396
4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644909
4-(4-methoxy-3-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one
CID 110420093
4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110644941
4-butylsulfonyl-3-ethylpiperazin-2-one
CID 63600864

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one?
The IUPAC name of 3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one (CID 110644975) is 3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one?
The canonical SMILES for 3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one is CCCS(=O)(=O)N1CCNC(=O)C1c1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one?
The InChIKey is BZZLAEHFDCUOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-3-10-21(18,19)16-9-8-15-14(17)13(16)11-4-6-12(20-2)7-5-11/h4-7,13H,3,8-10H2,1-2H3,(H,15,17).
What are the key properties of 3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one?
3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one has a molecular weight of 312.39 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one is sourced from PubChem (CID 110644975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).