1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propylurea

C17H26FN3O3S — CID 50822694

IUPAC1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propylurea
SMILESCCCNC(=O)NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3O3S/c1-2-10-19-17(22)20-11-7-14-8-12-21(13-9-14)25(23,24)16-5-3-15(18)4-6-16/h3-6,14H,2,7-13H2,1H3,(H2,19,20,22)
InChIKeyZWDLOTFWCXPIRI-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.33
Rot. Bonds7

About 1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propylurea

1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propylurea (PubChem CID 50822694) has the molecular formula C17H26FN3O3S and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propylurea
PubChem CID50822694
Molecular FormulaC17H26FN3O3S
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC Name1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propylurea
SMILESCCCNC(=O)NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3O3S/c1-2-10-19-17(22)20-11-7-14-8-12-21(13-9-14)25(23,24)16-5-3-15(18)4-6-16/h3-6,14H,2,7-13H2,1H3,(H2,19,20,22)
InChIKeyZWDLOTFWCXPIRI-UHFFFAOYSA-N
XLogP2.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propylurea?
The IUPAC name of 1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propylurea (CID 50822694) is 1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propylurea?
The canonical SMILES for 1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propylurea is CCCNC(=O)NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propylurea?
The InChIKey is ZWDLOTFWCXPIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O3S/c1-2-10-19-17(22)20-11-7-14-8-12-21(13-9-14)25(23,24)16-5-3-15(18)4-6-16/h3-6,14H,2,7-13H2,1H3,(H2,19,20,22).
What are the key properties of 1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propylurea?
1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propylurea has a molecular weight of 371.48 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]-3-propylurea is sourced from PubChem (CID 50822694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).