1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione

C28H25FN2O4 — CID 21428716

IUPAC1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCC(Oc2ccc(F)cc2)CC1)c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C28H25FN2O4/c29-20-6-8-21(9-7-20)35-22-12-14-31(15-13-22)28(33)27(32)25-17-30-26-11-10-23(16-24(25)26)34-18-19-4-2-1-3-5-19/h1-11,16-17,22,30H,12-15,18H2
InChIKeySGAMJAQWDCVQMH-UHFFFAOYSA-N
MW472.52 g/mol
LogP5.14
Rot. Bonds7

About 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione

1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione (PubChem CID 21428716) has the molecular formula C28H25FN2O4 and a molecular weight of 472.52 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione
PubChem CID21428716
Molecular FormulaC28H25FN2O4
Molecular Weight472.52 g/mol
Exact Mass472.18
IUPAC Name1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCC(Oc2ccc(F)cc2)CC1)c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C28H25FN2O4/c29-20-6-8-21(9-7-20)35-22-12-14-31(15-13-22)28(33)27(32)25-17-30-26-11-10-23(16-24(25)26)34-18-19-4-2-1-3-5-19/h1-11,16-17,22,30H,12-15,18H2
InChIKeySGAMJAQWDCVQMH-UHFFFAOYSA-N
XLogP5.14
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.52
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione 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 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione?
The IUPAC name of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione (CID 21428716) is 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione is O=C(C(=O)N1CCC(Oc2ccc(F)cc2)CC1)c1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione?
The InChIKey is SGAMJAQWDCVQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O4/c29-20-6-8-21(9-7-20)35-22-12-14-31(15-13-22)28(33)27(32)25-17-30-26-11-10-23(16-24(25)26)34-18-19-4-2-1-3-5-19/h1-11,16-17,22,30H,12-15,18H2.
What are the key properties of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione?
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione has a molecular weight of 472.52 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethane-1,2-dione is sourced from PubChem (CID 21428716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).