1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-2-indol-1-ylethanone

C20H20BrN3O2 — CID 71799434

IUPAC1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-2-indol-1-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCC(Oc2ncccc2Br)CC1
InChIInChI=1S/C20H20BrN3O2/c21-17-5-3-10-22-20(17)26-16-8-12-23(13-9-16)19(25)14-24-11-7-15-4-1-2-6-18(15)24/h1-7,10-11,16H,8-9,12-14H2
InChIKeyBSSHSZIQBZNKCA-UHFFFAOYSA-N
MW414.30 g/mol
LogP3.87
Rot. Bonds4

About 1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-2-indol-1-ylethanone

1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-2-indol-1-ylethanone (PubChem CID 71799434) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-2-indol-1-ylethanone.

Molecular Properties

Compound Name1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-2-indol-1-ylethanone
PubChem CID71799434
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-2-indol-1-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCC(Oc2ncccc2Br)CC1
InChIInChI=1S/C20H20BrN3O2/c21-17-5-3-10-22-20(17)26-16-8-12-23(13-9-16)19(25)14-24-11-7-15-4-1-2-6-18(15)24/h1-7,10-11,16H,8-9,12-14H2
InChIKeyBSSHSZIQBZNKCA-UHFFFAOYSA-N
XLogP3.87
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-2-indol-1-ylethanone 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-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-2-indol-1-ylethanone?
The IUPAC name of 1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-2-indol-1-ylethanone (CID 71799434) is 1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-2-indol-1-ylethanone.
What is the SMILES notation for 1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-2-indol-1-ylethanone?
The canonical SMILES for 1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-2-indol-1-ylethanone is O=C(Cn1ccc2ccccc21)N1CCC(Oc2ncccc2Br)CC1.
What is the InChIKey of 1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-2-indol-1-ylethanone?
The InChIKey is BSSHSZIQBZNKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c21-17-5-3-10-22-20(17)26-16-8-12-23(13-9-16)19(25)14-24-11-7-15-4-1-2-6-18(15)24/h1-7,10-11,16H,8-9,12-14H2.
What are the key properties of 1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-2-indol-1-ylethanone?
1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-2-indol-1-ylethanone has a molecular weight of 414.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-2-indol-1-ylethanone is sourced from PubChem (CID 71799434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).