1-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]pyrrolidin-2-one

C17H23FN2O4S — CID 56862278

IUPAC1-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(S(=O)(=O)CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O4S/c18-14-3-5-16(6-4-14)24-12-13-25(22,23)19-10-7-15(8-11-19)20-9-1-2-17(20)21/h3-6,15H,1-2,7-13H2
InChIKeyWPZLFCVAQQTJOB-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.62
Rot. Bonds6

About 1-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 56862278) has the molecular formula C17H23FN2O4S and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID56862278
Molecular FormulaC17H23FN2O4S
Molecular Weight370.45 g/mol
Exact Mass370.14
IUPAC Name1-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(S(=O)(=O)CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O4S/c18-14-3-5-16(6-4-14)24-12-13-25(22,23)19-10-7-15(8-11-19)20-9-1-2-17(20)21/h3-6,15H,1-2,7-13H2
InChIKeyWPZLFCVAQQTJOB-UHFFFAOYSA-N
XLogP1.62
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]pyrrolidin-2-one (CID 56862278) is 1-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CCN(S(=O)(=O)CCOc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is WPZLFCVAQQTJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4S/c18-14-3-5-16(6-4-14)24-12-13-25(22,23)19-10-7-15(8-11-19)20-9-1-2-17(20)21/h3-6,15H,1-2,7-13H2.
What are the key properties of 1-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 370.45 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 56862278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).