N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide

C16H24FN3O3S — CID 42175473

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide
SMILESCCC(=O)NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H24FN3O3S/c1-2-16(21)18-8-5-13-24(22,23)20-11-9-19(10-12-20)15-7-4-3-6-14(15)17/h3-4,6-7H,2,5,8-13H2,1H3,(H,18,21)
InChIKeyPNMHYPZOGLCQNO-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.19
Rot. Bonds7

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide (PubChem CID 42175473) has the molecular formula C16H24FN3O3S and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide
PubChem CID42175473
Molecular FormulaC16H24FN3O3S
Molecular Weight357.45 g/mol
Exact Mass357.15
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide
SMILESCCC(=O)NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H24FN3O3S/c1-2-16(21)18-8-5-13-24(22,23)20-11-9-19(10-12-20)15-7-4-3-6-14(15)17/h3-4,6-7H,2,5,8-13H2,1H3,(H,18,21)
InChIKeyPNMHYPZOGLCQNO-UHFFFAOYSA-N
XLogP1.19
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.19
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]-2-(4-phenylphenyl)acetamide
CID 42175567
N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175183
2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175526
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide
CID 7188764
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-propylpentanamide
CID 41349364
2-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565382
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
CID 7188773
3-cyano-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175610
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]acetamide
CID 42175607
4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16825823
2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175267

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide (CID 42175473) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide is CCC(=O)NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide?
The InChIKey is PNMHYPZOGLCQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3S/c1-2-16(21)18-8-5-13-24(22,23)20-11-9-19(10-12-20)15-7-4-3-6-14(15)17/h3-4,6-7H,2,5,8-13H2,1H3,(H,18,21).
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide has a molecular weight of 357.45 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide is sourced from PubChem (CID 42175473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).