1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one

C15H16N2O2 — CID 14192560

IUPAC1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one
SMILESO=C(CN1CCCCC1=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H16N2O2/c18-14(10-17-8-4-3-7-15(17)19)12-9-16-13-6-2-1-5-11(12)13/h1-2,5-6,9,16H,3-4,7-8,10H2
InChIKeyXVXAUHMFRXXLEM-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.36
Rot. Bonds3

About 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one

1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one (PubChem CID 14192560) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one
PubChem CID14192560
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one
SMILESO=C(CN1CCCCC1=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H16N2O2/c18-14(10-17-8-4-3-7-15(17)19)12-9-16-13-6-2-1-5-11(12)13/h1-2,5-6,9,16H,3-4,7-8,10H2
InChIKeyXVXAUHMFRXXLEM-UHFFFAOYSA-N
XLogP2.36
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one (CID 14192560) is 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one is O=C(CN1CCCCC1=O)c1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one?
The InChIKey is XVXAUHMFRXXLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-14(10-17-8-4-3-7-15(17)19)12-9-16-13-6-2-1-5-11(12)13/h1-2,5-6,9,16H,3-4,7-8,10H2.
What are the key properties of 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one?
1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one has a molecular weight of 256.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 14192560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).