5-acetyl-1-piperidin-4-yl-3H-indol-2-one

C15H18N2O2 — CID 84758259

IUPAC5-acetyl-1-piperidin-4-yl-3H-indol-2-one
SMILESCC(=O)c1ccc2c(c1)CC(=O)N2C1CCNCC1
InChIInChI=1S/C15H18N2O2/c1-10(18)11-2-3-14-12(8-11)9-15(19)17(14)13-4-6-16-7-5-13/h2-3,8,13,16H,4-7,9H2,1H3
InChIKeyIFLUWHWKBAOBEQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.53
Rot. Bonds2

About 5-acetyl-1-piperidin-4-yl-3H-indol-2-one

5-acetyl-1-piperidin-4-yl-3H-indol-2-one (PubChem CID 84758259) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-acetyl-1-piperidin-4-yl-3H-indol-2-one.

Molecular Properties

Compound Name5-acetyl-1-piperidin-4-yl-3H-indol-2-one
PubChem CID84758259
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-acetyl-1-piperidin-4-yl-3H-indol-2-one
SMILESCC(=O)c1ccc2c(c1)CC(=O)N2C1CCNCC1
InChIInChI=1S/C15H18N2O2/c1-10(18)11-2-3-14-12(8-11)9-15(19)17(14)13-4-6-16-7-5-13/h2-3,8,13,16H,4-7,9H2,1H3
InChIKeyIFLUWHWKBAOBEQ-UHFFFAOYSA-N
XLogP1.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-piperidin-4-yl-3H-indol-2-one?
The IUPAC name of 5-acetyl-1-piperidin-4-yl-3H-indol-2-one (CID 84758259) is 5-acetyl-1-piperidin-4-yl-3H-indol-2-one.
What is the SMILES notation for 5-acetyl-1-piperidin-4-yl-3H-indol-2-one?
The canonical SMILES for 5-acetyl-1-piperidin-4-yl-3H-indol-2-one is CC(=O)c1ccc2c(c1)CC(=O)N2C1CCNCC1.
What is the InChIKey of 5-acetyl-1-piperidin-4-yl-3H-indol-2-one?
The InChIKey is IFLUWHWKBAOBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(18)11-2-3-14-12(8-11)9-15(19)17(14)13-4-6-16-7-5-13/h2-3,8,13,16H,4-7,9H2,1H3.
What are the key properties of 5-acetyl-1-piperidin-4-yl-3H-indol-2-one?
5-acetyl-1-piperidin-4-yl-3H-indol-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-piperidin-4-yl-3H-indol-2-one is sourced from PubChem (CID 84758259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).