2-(6-bromo-2,3-dihydroindol-1-yl)-1-piperidin-1-ylethanone

C15H19BrN2O — CID 162657227

IUPAC2-(6-bromo-2,3-dihydroindol-1-yl)-1-piperidin-1-ylethanone
SMILESO=C(CN1CCc2ccc(Br)cc21)N1CCCCC1
InChIInChI=1S/C15H19BrN2O/c16-13-5-4-12-6-9-18(14(12)10-13)11-15(19)17-7-2-1-3-8-17/h4-5,10H,1-3,6-9,11H2
InChIKeyKFNXESZJDCISIU-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.82
Rot. Bonds2

About 2-(6-bromo-2,3-dihydroindol-1-yl)-1-piperidin-1-ylethanone

2-(6-bromo-2,3-dihydroindol-1-yl)-1-piperidin-1-ylethanone (PubChem CID 162657227) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dihydroindol-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(6-bromo-2,3-dihydroindol-1-yl)-1-piperidin-1-ylethanone
PubChem CID162657227
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name2-(6-bromo-2,3-dihydroindol-1-yl)-1-piperidin-1-ylethanone
SMILESO=C(CN1CCc2ccc(Br)cc21)N1CCCCC1
InChIInChI=1S/C15H19BrN2O/c16-13-5-4-12-6-9-18(14(12)10-13)11-15(19)17-7-2-1-3-8-17/h4-5,10H,1-3,6-9,11H2
InChIKeyKFNXESZJDCISIU-UHFFFAOYSA-N
XLogP2.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dihydroindol-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(6-bromo-2,3-dihydroindol-1-yl)-1-piperidin-1-ylethanone (CID 162657227) is 2-(6-bromo-2,3-dihydroindol-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(6-bromo-2,3-dihydroindol-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(6-bromo-2,3-dihydroindol-1-yl)-1-piperidin-1-ylethanone is O=C(CN1CCc2ccc(Br)cc21)N1CCCCC1.
What is the InChIKey of 2-(6-bromo-2,3-dihydroindol-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is KFNXESZJDCISIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-13-5-4-12-6-9-18(14(12)10-13)11-15(19)17-7-2-1-3-8-17/h4-5,10H,1-3,6-9,11H2.
What are the key properties of 2-(6-bromo-2,3-dihydroindol-1-yl)-1-piperidin-1-ylethanone?
2-(6-bromo-2,3-dihydroindol-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 323.23 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dihydroindol-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 162657227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).