5-piperidin-4-ylindol-2-one

C13H14N2O — CID 141427933

IUPAC5-piperidin-4-ylindol-2-one
SMILESO=C1C=c2cc(C3CCNCC3)ccc2=N1
InChIInChI=1S/C13H14N2O/c16-13-8-11-7-10(1-2-12(11)15-13)9-3-5-14-6-4-9/h1-2,7-9,14H,3-6H2
InChIKeyZEGSPHBOOZHHLC-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.09
Rot. Bonds1

About 5-piperidin-4-ylindol-2-one

5-piperidin-4-ylindol-2-one (PubChem CID 141427933) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-piperidin-4-ylindol-2-one.

Molecular Properties

Compound Name5-piperidin-4-ylindol-2-one
PubChem CID141427933
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name5-piperidin-4-ylindol-2-one
SMILESO=C1C=c2cc(C3CCNCC3)ccc2=N1
InChIInChI=1S/C13H14N2O/c16-13-8-11-7-10(1-2-12(11)15-13)9-3-5-14-6-4-9/h1-2,7-9,14H,3-6H2
InChIKeyZEGSPHBOOZHHLC-UHFFFAOYSA-N
XLogP0.09
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-ylindol-2-one?
The IUPAC name of 5-piperidin-4-ylindol-2-one (CID 141427933) is 5-piperidin-4-ylindol-2-one.
What is the SMILES notation for 5-piperidin-4-ylindol-2-one?
The canonical SMILES for 5-piperidin-4-ylindol-2-one is O=C1C=c2cc(C3CCNCC3)ccc2=N1.
What is the InChIKey of 5-piperidin-4-ylindol-2-one?
The InChIKey is ZEGSPHBOOZHHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-13-8-11-7-10(1-2-12(11)15-13)9-3-5-14-6-4-9/h1-2,7-9,14H,3-6H2.
What are the key properties of 5-piperidin-4-ylindol-2-one?
5-piperidin-4-ylindol-2-one has a molecular weight of 214.27 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-ylindol-2-one is sourced from PubChem (CID 141427933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).