1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one

C21H21FN2O2 — CID 45275497

IUPAC1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one
SMILESO=C(CN1CCCC(c2ccccc2)C1=O)N1Cc2ccc(F)cc2C1
InChIInChI=1S/C21H21FN2O2/c22-18-9-8-16-12-24(13-17(16)11-18)20(25)14-23-10-4-7-19(21(23)26)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,19H,4,7,10,12-14H2
InChIKeyKFCPRPURBXFPQH-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.07
Rot. Bonds3

About 1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one

1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one (PubChem CID 45275497) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one.

Molecular Properties

Compound Name1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one
PubChem CID45275497
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one
SMILESO=C(CN1CCCC(c2ccccc2)C1=O)N1Cc2ccc(F)cc2C1
InChIInChI=1S/C21H21FN2O2/c22-18-9-8-16-12-24(13-17(16)11-18)20(25)14-23-10-4-7-19(21(23)26)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,19H,4,7,10,12-14H2
InChIKeyKFCPRPURBXFPQH-UHFFFAOYSA-N
XLogP3.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one?
The IUPAC name of 1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one (CID 45275497) is 1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one.
What is the SMILES notation for 1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one?
The canonical SMILES for 1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one is O=C(CN1CCCC(c2ccccc2)C1=O)N1Cc2ccc(F)cc2C1.
What is the InChIKey of 1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one?
The InChIKey is KFCPRPURBXFPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-18-9-8-16-12-24(13-17(16)11-18)20(25)14-23-10-4-7-19(21(23)26)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,19H,4,7,10,12-14H2.
What are the key properties of 1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one?
1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one has a molecular weight of 352.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one is sourced from PubChem (CID 45275497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).