2-oxo-3-piperidin-4-yl-1,3-dihydroindole-5-carbonitrile

C14H15N3O — CID 118145957

IUPAC2-oxo-3-piperidin-4-yl-1,3-dihydroindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C(C1CCNCC1)C(=O)N2
InChIInChI=1S/C14H15N3O/c15-8-9-1-2-12-11(7-9)13(14(18)17-12)10-3-5-16-6-4-10/h1-2,7,10,13,16H,3-6H2,(H,17,18)
InChIKeyISAXGXFLODIGPR-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.59
Rot. Bonds1

About 2-oxo-3-piperidin-4-yl-1,3-dihydroindole-5-carbonitrile

2-oxo-3-piperidin-4-yl-1,3-dihydroindole-5-carbonitrile (PubChem CID 118145957) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-oxo-3-piperidin-4-yl-1,3-dihydroindole-5-carbonitrile.

Molecular Properties

Compound Name2-oxo-3-piperidin-4-yl-1,3-dihydroindole-5-carbonitrile
PubChem CID118145957
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-oxo-3-piperidin-4-yl-1,3-dihydroindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C(C1CCNCC1)C(=O)N2
InChIInChI=1S/C14H15N3O/c15-8-9-1-2-12-11(7-9)13(14(18)17-12)10-3-5-16-6-4-10/h1-2,7,10,13,16H,3-6H2,(H,17,18)
InChIKeyISAXGXFLODIGPR-UHFFFAOYSA-N
XLogP1.59
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-piperidin-4-yl-1,3-dihydroindole-5-carbonitrile?
The IUPAC name of 2-oxo-3-piperidin-4-yl-1,3-dihydroindole-5-carbonitrile (CID 118145957) is 2-oxo-3-piperidin-4-yl-1,3-dihydroindole-5-carbonitrile.
What is the SMILES notation for 2-oxo-3-piperidin-4-yl-1,3-dihydroindole-5-carbonitrile?
The canonical SMILES for 2-oxo-3-piperidin-4-yl-1,3-dihydroindole-5-carbonitrile is N#Cc1ccc2c(c1)C(C1CCNCC1)C(=O)N2.
What is the InChIKey of 2-oxo-3-piperidin-4-yl-1,3-dihydroindole-5-carbonitrile?
The InChIKey is ISAXGXFLODIGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-8-9-1-2-12-11(7-9)13(14(18)17-12)10-3-5-16-6-4-10/h1-2,7,10,13,16H,3-6H2,(H,17,18).
What are the key properties of 2-oxo-3-piperidin-4-yl-1,3-dihydroindole-5-carbonitrile?
2-oxo-3-piperidin-4-yl-1,3-dihydroindole-5-carbonitrile has a molecular weight of 241.29 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-piperidin-4-yl-1,3-dihydroindole-5-carbonitrile is sourced from PubChem (CID 118145957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).