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

C22H25FN2O2 — CID 57318569

IUPAC3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1OCCN1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O2/c23-18-7-5-16(6-8-18)15-17-9-11-25(12-10-17)13-14-27-21-19-3-1-2-4-20(19)24-22(21)26/h1-8,17,21H,9-15H2,(H,24,26)
InChIKeyRWTCOZJPYPLSQE-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.79
Rot. Bonds6

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

3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]-1,3-dihydroindol-2-one (PubChem CID 57318569) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]-1,3-dihydroindol-2-one
PubChem CID57318569
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1OCCN1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O2/c23-18-7-5-16(6-8-18)15-17-9-11-25(12-10-17)13-14-27-21-19-3-1-2-4-20(19)24-22(21)26/h1-8,17,21H,9-15H2,(H,24,26)
InChIKeyRWTCOZJPYPLSQE-UHFFFAOYSA-N
XLogP3.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]-1,3-dihydroindol-2-one (CID 57318569) is 3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1OCCN1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]-1,3-dihydroindol-2-one?
The InChIKey is RWTCOZJPYPLSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-18-7-5-16(6-8-18)15-17-9-11-25(12-10-17)13-14-27-21-19-3-1-2-4-20(19)24-22(21)26/h1-8,17,21H,9-15H2,(H,24,26).
What are the key properties of 3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]-1,3-dihydroindol-2-one?
3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]-1,3-dihydroindol-2-one has a molecular weight of 368.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 57318569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).