5-bromo-1-(piperidin-4-ylmethyl)-3H-indol-2-one

C14H17BrN2O — CID 84645182

IUPAC5-bromo-1-(piperidin-4-ylmethyl)-3H-indol-2-one
SMILESO=C1Cc2cc(Br)ccc2N1CC1CCNCC1
InChIInChI=1S/C14H17BrN2O/c15-12-1-2-13-11(7-12)8-14(18)17(13)9-10-3-5-16-6-4-10/h1-2,7,10,16H,3-6,8-9H2
InChIKeySLSNNSDBLACCTK-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.34
Rot. Bonds2

About 5-bromo-1-(piperidin-4-ylmethyl)-3H-indol-2-one

5-bromo-1-(piperidin-4-ylmethyl)-3H-indol-2-one (PubChem CID 84645182) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 5-bromo-1-(piperidin-4-ylmethyl)-3H-indol-2-one.

Molecular Properties

Compound Name5-bromo-1-(piperidin-4-ylmethyl)-3H-indol-2-one
PubChem CID84645182
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name5-bromo-1-(piperidin-4-ylmethyl)-3H-indol-2-one
SMILESO=C1Cc2cc(Br)ccc2N1CC1CCNCC1
InChIInChI=1S/C14H17BrN2O/c15-12-1-2-13-11(7-12)8-14(18)17(13)9-10-3-5-16-6-4-10/h1-2,7,10,16H,3-6,8-9H2
InChIKeySLSNNSDBLACCTK-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-1-(piperidin-4-ylmethyl)-3H-indol-2-one?
The IUPAC name of 5-bromo-1-(piperidin-4-ylmethyl)-3H-indol-2-one (CID 84645182) is 5-bromo-1-(piperidin-4-ylmethyl)-3H-indol-2-one.
What is the SMILES notation for 5-bromo-1-(piperidin-4-ylmethyl)-3H-indol-2-one?
The canonical SMILES for 5-bromo-1-(piperidin-4-ylmethyl)-3H-indol-2-one is O=C1Cc2cc(Br)ccc2N1CC1CCNCC1.
What is the InChIKey of 5-bromo-1-(piperidin-4-ylmethyl)-3H-indol-2-one?
The InChIKey is SLSNNSDBLACCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-12-1-2-13-11(7-12)8-14(18)17(13)9-10-3-5-16-6-4-10/h1-2,7,10,16H,3-6,8-9H2.
What are the key properties of 5-bromo-1-(piperidin-4-ylmethyl)-3H-indol-2-one?
5-bromo-1-(piperidin-4-ylmethyl)-3H-indol-2-one has a molecular weight of 309.21 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(piperidin-4-ylmethyl)-3H-indol-2-one is sourced from PubChem (CID 84645182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).