1-acetyl-2-piperidin-1-yl-2H-indol-3-one

C15H18N2O2 — CID 2997944

IUPAC1-acetyl-2-piperidin-1-yl-2H-indol-3-one
SMILESCC(=O)N1c2ccccc2C(=O)C1N1CCCCC1
InChIInChI=1S/C15H18N2O2/c1-11(18)17-13-8-4-3-7-12(13)14(19)15(17)16-9-5-2-6-10-16/h3-4,7-8,15H,2,5-6,9-10H2,1H3
InChIKeyFXXSUHOQMCITHR-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.05
Rot. Bonds1

About 1-acetyl-2-piperidin-1-yl-2H-indol-3-one

1-acetyl-2-piperidin-1-yl-2H-indol-3-one (PubChem CID 2997944) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-acetyl-2-piperidin-1-yl-2H-indol-3-one.

Molecular Properties

Compound Name1-acetyl-2-piperidin-1-yl-2H-indol-3-one
PubChem CID2997944
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-acetyl-2-piperidin-1-yl-2H-indol-3-one
SMILESCC(=O)N1c2ccccc2C(=O)C1N1CCCCC1
InChIInChI=1S/C15H18N2O2/c1-11(18)17-13-8-4-3-7-12(13)14(19)15(17)16-9-5-2-6-10-16/h3-4,7-8,15H,2,5-6,9-10H2,1H3
InChIKeyFXXSUHOQMCITHR-UHFFFAOYSA-N
XLogP2.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-piperidin-1-yl-2H-indol-3-one?
The IUPAC name of 1-acetyl-2-piperidin-1-yl-2H-indol-3-one (CID 2997944) is 1-acetyl-2-piperidin-1-yl-2H-indol-3-one.
What is the SMILES notation for 1-acetyl-2-piperidin-1-yl-2H-indol-3-one?
The canonical SMILES for 1-acetyl-2-piperidin-1-yl-2H-indol-3-one is CC(=O)N1c2ccccc2C(=O)C1N1CCCCC1.
What is the InChIKey of 1-acetyl-2-piperidin-1-yl-2H-indol-3-one?
The InChIKey is FXXSUHOQMCITHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(18)17-13-8-4-3-7-12(13)14(19)15(17)16-9-5-2-6-10-16/h3-4,7-8,15H,2,5-6,9-10H2,1H3.
What are the key properties of 1-acetyl-2-piperidin-1-yl-2H-indol-3-one?
1-acetyl-2-piperidin-1-yl-2H-indol-3-one has a molecular weight of 258.32 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-piperidin-1-yl-2H-indol-3-one is sourced from PubChem (CID 2997944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).