1-acetyl-4-piperidin-4-ylpiperazine-2,5-dione

C11H17N3O3 — CID 67598642

IUPAC1-acetyl-4-piperidin-4-ylpiperazine-2,5-dione
SMILESCC(=O)N1CC(=O)N(C2CCNCC2)CC1=O
InChIInChI=1S/C11H17N3O3/c1-8(15)13-6-11(17)14(7-10(13)16)9-2-4-12-5-3-9/h9,12H,2-7H2,1H3
InChIKeyZWWBKHFESWFXMM-UHFFFAOYSA-N
MW239.27 g/mol
LogP-1.04
Rot. Bonds1

About 1-acetyl-4-piperidin-4-ylpiperazine-2,5-dione

1-acetyl-4-piperidin-4-ylpiperazine-2,5-dione (PubChem CID 67598642) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-acetyl-4-piperidin-4-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-acetyl-4-piperidin-4-ylpiperazine-2,5-dione
PubChem CID67598642
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1-acetyl-4-piperidin-4-ylpiperazine-2,5-dione
SMILESCC(=O)N1CC(=O)N(C2CCNCC2)CC1=O
InChIInChI=1S/C11H17N3O3/c1-8(15)13-6-11(17)14(7-10(13)16)9-2-4-12-5-3-9/h9,12H,2-7H2,1H3
InChIKeyZWWBKHFESWFXMM-UHFFFAOYSA-N
XLogP-1.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-piperidin-4-ylpiperazine-2,5-dione?
The IUPAC name of 1-acetyl-4-piperidin-4-ylpiperazine-2,5-dione (CID 67598642) is 1-acetyl-4-piperidin-4-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-acetyl-4-piperidin-4-ylpiperazine-2,5-dione?
The canonical SMILES for 1-acetyl-4-piperidin-4-ylpiperazine-2,5-dione is CC(=O)N1CC(=O)N(C2CCNCC2)CC1=O.
What is the InChIKey of 1-acetyl-4-piperidin-4-ylpiperazine-2,5-dione?
The InChIKey is ZWWBKHFESWFXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(15)13-6-11(17)14(7-10(13)16)9-2-4-12-5-3-9/h9,12H,2-7H2,1H3.
What are the key properties of 1-acetyl-4-piperidin-4-ylpiperazine-2,5-dione?
1-acetyl-4-piperidin-4-ylpiperazine-2,5-dione has a molecular weight of 239.27 g/mol, XLogP of -1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-piperidin-4-ylpiperazine-2,5-dione is sourced from PubChem (CID 67598642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).