5-bromo-4-piperidin-4-yl-1,3-dihydroindol-2-one

C13H15BrN2O — CID 170775989

IUPAC5-bromo-4-piperidin-4-yl-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(ccc(Br)c2C2CCNCC2)N1
InChIInChI=1S/C13H15BrN2O/c14-10-1-2-11-9(7-12(17)16-11)13(10)8-3-5-15-6-4-8/h1-2,8,15H,3-7H2,(H,16,17)
InChIKeyNXTJJBWWOBMQFS-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.41
Rot. Bonds1

About 5-bromo-4-piperidin-4-yl-1,3-dihydroindol-2-one

5-bromo-4-piperidin-4-yl-1,3-dihydroindol-2-one (PubChem CID 170775989) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-4-piperidin-4-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-4-piperidin-4-yl-1,3-dihydroindol-2-one
PubChem CID170775989
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name5-bromo-4-piperidin-4-yl-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(ccc(Br)c2C2CCNCC2)N1
InChIInChI=1S/C13H15BrN2O/c14-10-1-2-11-9(7-12(17)16-11)13(10)8-3-5-15-6-4-8/h1-2,8,15H,3-7H2,(H,16,17)
InChIKeyNXTJJBWWOBMQFS-UHFFFAOYSA-N
XLogP2.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-piperidin-4-yl-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-4-piperidin-4-yl-1,3-dihydroindol-2-one (CID 170775989) is 5-bromo-4-piperidin-4-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-4-piperidin-4-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-4-piperidin-4-yl-1,3-dihydroindol-2-one is O=C1Cc2c(ccc(Br)c2C2CCNCC2)N1.
What is the InChIKey of 5-bromo-4-piperidin-4-yl-1,3-dihydroindol-2-one?
The InChIKey is NXTJJBWWOBMQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c14-10-1-2-11-9(7-12(17)16-11)13(10)8-3-5-15-6-4-8/h1-2,8,15H,3-7H2,(H,16,17).
What are the key properties of 5-bromo-4-piperidin-4-yl-1,3-dihydroindol-2-one?
5-bromo-4-piperidin-4-yl-1,3-dihydroindol-2-one has a molecular weight of 295.18 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-piperidin-4-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 170775989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).