5-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxyethyl]-1,3-dihydroindol-2-one

C22H25FN2O2 — CID 14580202

IUPAC5-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxyethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)CN3CCC(Cc4ccc(F)cc4)CC3)ccc2N1
InChIInChI=1S/C22H25FN2O2/c23-19-4-1-15(2-5-19)11-16-7-9-25(10-8-16)14-21(26)17-3-6-20-18(12-17)13-22(27)24-20/h1-6,12,16,21,26H,7-11,13-14H2,(H,24,27)
InChIKeyJZAYUGIZPPLLGT-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.31
Rot. Bonds5

About 5-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxyethyl]-1,3-dihydroindol-2-one

5-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxyethyl]-1,3-dihydroindol-2-one (PubChem CID 14580202) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 5-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxyethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxyethyl]-1,3-dihydroindol-2-one
PubChem CID14580202
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name5-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxyethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)CN3CCC(Cc4ccc(F)cc4)CC3)ccc2N1
InChIInChI=1S/C22H25FN2O2/c23-19-4-1-15(2-5-19)11-16-7-9-25(10-8-16)14-21(26)17-3-6-20-18(12-17)13-22(27)24-20/h1-6,12,16,21,26H,7-11,13-14H2,(H,24,27)
InChIKeyJZAYUGIZPPLLGT-UHFFFAOYSA-N
XLogP3.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxyethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxyethyl]-1,3-dihydroindol-2-one (CID 14580202) is 5-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxyethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxyethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxyethyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(O)CN3CCC(Cc4ccc(F)cc4)CC3)ccc2N1.
What is the InChIKey of 5-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxyethyl]-1,3-dihydroindol-2-one?
The InChIKey is JZAYUGIZPPLLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-19-4-1-15(2-5-19)11-16-7-9-25(10-8-16)14-21(26)17-3-6-20-18(12-17)13-22(27)24-20/h1-6,12,16,21,26H,7-11,13-14H2,(H,24,27).
What are the key properties of 5-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxyethyl]-1,3-dihydroindol-2-one?
5-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxyethyl]-1,3-dihydroindol-2-one has a molecular weight of 368.45 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxyethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 14580202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).