4-fluoro-2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one

C19H22FN3O4 — CID 123199819

IUPAC4-fluoro-2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one
SMILESO=C(CN1Cc2c(F)cc(N3CCCC3=O)cc2C1=O)N1CCC(O)CC1
InChIInChI=1S/C19H22FN3O4/c20-16-9-12(23-5-1-2-17(23)25)8-14-15(16)10-22(19(14)27)11-18(26)21-6-3-13(24)4-7-21/h8-9,13,24H,1-7,10-11H2
InChIKeyGIXFDHCMFSYLGN-UHFFFAOYSA-N
MW375.40 g/mol
LogP0.89
Rot. Bonds3

About 4-fluoro-2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one

4-fluoro-2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one (PubChem CID 123199819) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is 4-fluoro-2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name4-fluoro-2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one
PubChem CID123199819
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name4-fluoro-2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one
SMILESO=C(CN1Cc2c(F)cc(N3CCCC3=O)cc2C1=O)N1CCC(O)CC1
InChIInChI=1S/C19H22FN3O4/c20-16-9-12(23-5-1-2-17(23)25)8-14-15(16)10-22(19(14)27)11-18(26)21-6-3-13(24)4-7-21/h8-9,13,24H,1-7,10-11H2
InChIKeyGIXFDHCMFSYLGN-UHFFFAOYSA-N
XLogP0.89
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one?
The IUPAC name of 4-fluoro-2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one (CID 123199819) is 4-fluoro-2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one.
What is the SMILES notation for 4-fluoro-2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one?
The canonical SMILES for 4-fluoro-2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one is O=C(CN1Cc2c(F)cc(N3CCCC3=O)cc2C1=O)N1CCC(O)CC1.
What is the InChIKey of 4-fluoro-2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one?
The InChIKey is GIXFDHCMFSYLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c20-16-9-12(23-5-1-2-17(23)25)8-14-15(16)10-22(19(14)27)11-18(26)21-6-3-13(24)4-7-21/h8-9,13,24H,1-7,10-11H2.
What are the key properties of 4-fluoro-2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one?
4-fluoro-2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one has a molecular weight of 375.40 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one is sourced from PubChem (CID 123199819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).