N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide

C16H25N3O3S — CID 42175183

IUPACN-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
SMILESCCC(=O)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H25N3O3S/c1-2-16(20)17-9-6-14-23(21,22)19-12-10-18(11-13-19)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,17,20)
InChIKeyZWKYRDFJTWDDLU-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.05
Rot. Bonds7

About N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide

N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide (PubChem CID 42175183) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide.

Molecular Properties

Compound NameN-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
PubChem CID42175183
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
SMILESCCC(=O)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H25N3O3S/c1-2-16(20)17-9-6-14-23(21,22)19-12-10-18(11-13-19)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,17,20)
InChIKeyZWKYRDFJTWDDLU-UHFFFAOYSA-N
XLogP1.05
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide
CID 42175473
2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175274
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
2-naphthalen-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175277
3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175197
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 41349860
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 18565368
2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175267
4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175227
2-naphthalen-2-yloxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175258
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,3-diphenylpropanamide
CID 42175427
4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175284

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide?
The IUPAC name of N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide (CID 42175183) is N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide.
What is the SMILES notation for N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide?
The canonical SMILES for N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide is CCC(=O)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide?
The InChIKey is ZWKYRDFJTWDDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-2-16(20)17-9-6-14-23(21,22)19-12-10-18(11-13-19)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,17,20).
What are the key properties of N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide?
N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide has a molecular weight of 339.46 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide is sourced from PubChem (CID 42175183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).