ethyl 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2-oxo-3H-indol-6-yl]acetate

C25H29FN2O3 — CID 15549206

IUPACethyl 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2-oxo-3H-indol-6-yl]acetate
SMILESCCOC(=O)Cc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)C(=O)C2
InChIInChI=1S/C25H29FN2O3/c1-2-31-25(30)16-18-7-8-20-17-24(29)28(23(20)15-18)21-10-13-27(14-11-21)12-9-19-5-3-4-6-22(19)26/h3-8,15,21H,2,9-14,16-17H2,1H3
InChIKeyHTPIGKAUQPXEIJ-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.53
Rot. Bonds7

About ethyl 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2-oxo-3H-indol-6-yl]acetate

ethyl 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2-oxo-3H-indol-6-yl]acetate (PubChem CID 15549206) has the molecular formula C25H29FN2O3 and a molecular weight of 424.52 g/mol. Its IUPAC name is ethyl 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2-oxo-3H-indol-6-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2-oxo-3H-indol-6-yl]acetate
PubChem CID15549206
Molecular FormulaC25H29FN2O3
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC Nameethyl 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2-oxo-3H-indol-6-yl]acetate
SMILESCCOC(=O)Cc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)C(=O)C2
InChIInChI=1S/C25H29FN2O3/c1-2-31-25(30)16-18-7-8-20-17-24(29)28(23(20)15-18)21-10-13-27(14-11-21)12-9-19-5-3-4-6-22(19)26/h3-8,15,21H,2,9-14,16-17H2,1H3
InChIKeyHTPIGKAUQPXEIJ-UHFFFAOYSA-N
XLogP3.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2-oxo-3H-indol-6-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2-oxo-3H-indol-6-yl]acetate?
The IUPAC name of ethyl 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2-oxo-3H-indol-6-yl]acetate (CID 15549206) is ethyl 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2-oxo-3H-indol-6-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2-oxo-3H-indol-6-yl]acetate?
The canonical SMILES for ethyl 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2-oxo-3H-indol-6-yl]acetate is CCOC(=O)Cc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)C(=O)C2.
What is the InChIKey of ethyl 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2-oxo-3H-indol-6-yl]acetate?
The InChIKey is HTPIGKAUQPXEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O3/c1-2-31-25(30)16-18-7-8-20-17-24(29)28(23(20)15-18)21-10-13-27(14-11-21)12-9-19-5-3-4-6-22(19)26/h3-8,15,21H,2,9-14,16-17H2,1H3.
What are the key properties of ethyl 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2-oxo-3H-indol-6-yl]acetate?
ethyl 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2-oxo-3H-indol-6-yl]acetate has a molecular weight of 424.52 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2-oxo-3H-indol-6-yl]acetate is sourced from PubChem (CID 15549206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).