2-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-3-hydroxy-3H-isoindol-1-one

C24H26FN3O2 — CID 19898892

IUPAC2-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(O)N1CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C24H26FN3O2/c25-18-5-6-22-21(14-18)17(15-26-22)13-16-7-9-27(10-8-16)11-12-28-23(29)19-3-1-2-4-20(19)24(28)30/h1-6,14-16,23,26,29H,7-13H2
InChIKeyMOELOUYPRODBFR-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.71
Rot. Bonds5

About 2-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-3-hydroxy-3H-isoindol-1-one

2-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-3-hydroxy-3H-isoindol-1-one (PubChem CID 19898892) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-3-hydroxy-3H-isoindol-1-one
PubChem CID19898892
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name2-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(O)N1CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C24H26FN3O2/c25-18-5-6-22-21(14-18)17(15-26-22)13-16-7-9-27(10-8-16)11-12-28-23(29)19-3-1-2-4-20(19)24(28)30/h1-6,14-16,23,26,29H,7-13H2
InChIKeyMOELOUYPRODBFR-UHFFFAOYSA-N
XLogP3.71
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 2-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-3-hydroxy-3H-isoindol-1-one (CID 19898892) is 2-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-3-hydroxy-3H-isoindol-1-one is O=C1c2ccccc2C(O)N1CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 2-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-3-hydroxy-3H-isoindol-1-one?
The InChIKey is MOELOUYPRODBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c25-18-5-6-22-21(14-18)17(15-26-22)13-16-7-9-27(10-8-16)11-12-28-23(29)19-3-1-2-4-20(19)24(28)30/h1-6,14-16,23,26,29H,7-13H2.
What are the key properties of 2-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-3-hydroxy-3H-isoindol-1-one?
2-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-3-hydroxy-3H-isoindol-1-one has a molecular weight of 407.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 19898892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).