1-(2-oxopropyl)piperidin-2-one

C8H13NO2 — CID 22598396

IUPAC1-(2-oxopropyl)piperidin-2-one
SMILESCC(=O)CN1CCCCC1=O
InChIInChI=1S/C8H13NO2/c1-7(10)6-9-5-3-2-4-8(9)11/h2-6H2,1H3
InChIKeyXEISXIKNIZWXQN-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.59
Rot. Bonds2

About 1-(2-oxopropyl)piperidin-2-one

1-(2-oxopropyl)piperidin-2-one (PubChem CID 22598396) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(2-oxopropyl)piperidin-2-one.

Molecular Properties

Compound Name1-(2-oxopropyl)piperidin-2-one
PubChem CID22598396
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-(2-oxopropyl)piperidin-2-one
SMILESCC(=O)CN1CCCCC1=O
InChIInChI=1S/C8H13NO2/c1-7(10)6-9-5-3-2-4-8(9)11/h2-6H2,1H3
InChIKeyXEISXIKNIZWXQN-UHFFFAOYSA-N
XLogP0.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopropyl)piperidin-2-one?
The IUPAC name of 1-(2-oxopropyl)piperidin-2-one (CID 22598396) is 1-(2-oxopropyl)piperidin-2-one.
What is the SMILES notation for 1-(2-oxopropyl)piperidin-2-one?
The canonical SMILES for 1-(2-oxopropyl)piperidin-2-one is CC(=O)CN1CCCCC1=O.
What is the InChIKey of 1-(2-oxopropyl)piperidin-2-one?
The InChIKey is XEISXIKNIZWXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(10)6-9-5-3-2-4-8(9)11/h2-6H2,1H3.
What are the key properties of 1-(2-oxopropyl)piperidin-2-one?
1-(2-oxopropyl)piperidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopropyl)piperidin-2-one is sourced from PubChem (CID 22598396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).