(5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone

C14H17BrN2O — CID 119280350

IUPAC(5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C14H17BrN2O/c15-12-3-4-13-10(8-12)5-7-17(13)14(18)11-2-1-6-16-9-11/h3-4,8,11,16H,1-2,5-7,9H2
InChIKeyMMMWKTTUJKLYPY-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.34
Rot. Bonds1

About (5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone

(5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone (PubChem CID 119280350) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is (5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone
PubChem CID119280350
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name(5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C14H17BrN2O/c15-12-3-4-13-10(8-12)5-7-17(13)14(18)11-2-1-6-16-9-11/h3-4,8,11,16H,1-2,5-7,9H2
InChIKeyMMMWKTTUJKLYPY-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone?
The IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone (CID 119280350) is (5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone.
What is the SMILES notation for (5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone?
The canonical SMILES for (5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone is O=C(C1CCCNC1)N1CCc2cc(Br)ccc21.
What is the InChIKey of (5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone?
The InChIKey is MMMWKTTUJKLYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-12-3-4-13-10(8-12)5-7-17(13)14(18)11-2-1-6-16-9-11/h3-4,8,11,16H,1-2,5-7,9H2.
What are the key properties of (5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone?
(5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone has a molecular weight of 309.21 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone is sourced from PubChem (CID 119280350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).