4-acetyl-1-piperidin-4-ylpiperazin-2-one

C11H19N3O2 — CID 134790151

IUPAC4-acetyl-1-piperidin-4-ylpiperazin-2-one
SMILESCC(=O)N1CCN(C2CCNCC2)C(=O)C1
InChIInChI=1S/C11H19N3O2/c1-9(15)13-6-7-14(11(16)8-13)10-2-4-12-5-3-10/h10,12H,2-8H2,1H3
InChIKeyOKZBMOBZAVSIGM-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.57
Rot. Bonds1

About 4-acetyl-1-piperidin-4-ylpiperazin-2-one

4-acetyl-1-piperidin-4-ylpiperazin-2-one (PubChem CID 134790151) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-acetyl-1-piperidin-4-ylpiperazin-2-one.

Molecular Properties

Compound Name4-acetyl-1-piperidin-4-ylpiperazin-2-one
PubChem CID134790151
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-acetyl-1-piperidin-4-ylpiperazin-2-one
SMILESCC(=O)N1CCN(C2CCNCC2)C(=O)C1
InChIInChI=1S/C11H19N3O2/c1-9(15)13-6-7-14(11(16)8-13)10-2-4-12-5-3-10/h10,12H,2-8H2,1H3
InChIKeyOKZBMOBZAVSIGM-UHFFFAOYSA-N
XLogP-0.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-piperidin-4-ylpiperazin-2-one?
The IUPAC name of 4-acetyl-1-piperidin-4-ylpiperazin-2-one (CID 134790151) is 4-acetyl-1-piperidin-4-ylpiperazin-2-one.
What is the SMILES notation for 4-acetyl-1-piperidin-4-ylpiperazin-2-one?
The canonical SMILES for 4-acetyl-1-piperidin-4-ylpiperazin-2-one is CC(=O)N1CCN(C2CCNCC2)C(=O)C1.
What is the InChIKey of 4-acetyl-1-piperidin-4-ylpiperazin-2-one?
The InChIKey is OKZBMOBZAVSIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(15)13-6-7-14(11(16)8-13)10-2-4-12-5-3-10/h10,12H,2-8H2,1H3.
What are the key properties of 4-acetyl-1-piperidin-4-ylpiperazin-2-one?
4-acetyl-1-piperidin-4-ylpiperazin-2-one has a molecular weight of 225.29 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-piperidin-4-ylpiperazin-2-one is sourced from PubChem (CID 134790151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).