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

C22H23FN2O2 — CID 67358686

IUPAC1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-methyl-3-phenylpiperidin-2-one
SMILESCC1(c2ccccc2)CCCN(CC(=O)N2Cc3ccc(F)cc3C2)C1=O
InChIInChI=1S/C22H23FN2O2/c1-22(18-6-3-2-4-7-18)10-5-11-24(21(22)27)15-20(26)25-13-16-8-9-19(23)12-17(16)14-25/h2-4,6-9,12H,5,10-11,13-15H2,1H3
InChIKeyDEWJVUSTMCCKBK-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.25
Rot. Bonds3

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

1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-methyl-3-phenylpiperidin-2-one (PubChem CID 67358686) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-methyl-3-phenylpiperidin-2-one.

Molecular Properties

Compound Name1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-methyl-3-phenylpiperidin-2-one
PubChem CID67358686
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-methyl-3-phenylpiperidin-2-one
SMILESCC1(c2ccccc2)CCCN(CC(=O)N2Cc3ccc(F)cc3C2)C1=O
InChIInChI=1S/C22H23FN2O2/c1-22(18-6-3-2-4-7-18)10-5-11-24(21(22)27)15-20(26)25-13-16-8-9-19(23)12-17(16)14-25/h2-4,6-9,12H,5,10-11,13-15H2,1H3
InChIKeyDEWJVUSTMCCKBK-UHFFFAOYSA-N
XLogP3.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.25
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-methyl-3-phenylpiperidin-2-one?
The IUPAC name of 1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-methyl-3-phenylpiperidin-2-one (CID 67358686) is 1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-methyl-3-phenylpiperidin-2-one.
What is the SMILES notation for 1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-methyl-3-phenylpiperidin-2-one?
The canonical SMILES for 1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-methyl-3-phenylpiperidin-2-one is CC1(c2ccccc2)CCCN(CC(=O)N2Cc3ccc(F)cc3C2)C1=O.
What is the InChIKey of 1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-methyl-3-phenylpiperidin-2-one?
The InChIKey is DEWJVUSTMCCKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-22(18-6-3-2-4-7-18)10-5-11-24(21(22)27)15-20(26)25-13-16-8-9-19(23)12-17(16)14-25/h2-4,6-9,12H,5,10-11,13-15H2,1H3.
What are the key properties of 1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-methyl-3-phenylpiperidin-2-one?
1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-methyl-3-phenylpiperidin-2-one has a molecular weight of 366.44 g/mol, XLogP of 3.25, 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-methyl-3-phenylpiperidin-2-one is sourced from PubChem (CID 67358686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).