4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione

C12H17N3O4 — CID 66083193

IUPAC4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione
SMILESCC(=O)N1CCCC(C(=O)N2CC(=O)NC(=O)C2)C1
InChIInChI=1S/C12H17N3O4/c1-8(16)14-4-2-3-9(5-14)12(19)15-6-10(17)13-11(18)7-15/h9H,2-7H2,1H3,(H,13,17,18)
InChIKeyRMLJGMUTWKIAAK-UHFFFAOYSA-N
MW267.28 g/mol
LogP-1.27
Rot. Bonds1

About 4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione

4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione (PubChem CID 66083193) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione
PubChem CID66083193
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione
SMILESCC(=O)N1CCCC(C(=O)N2CC(=O)NC(=O)C2)C1
InChIInChI=1S/C12H17N3O4/c1-8(16)14-4-2-3-9(5-14)12(19)15-6-10(17)13-11(18)7-15/h9H,2-7H2,1H3,(H,13,17,18)
InChIKeyRMLJGMUTWKIAAK-UHFFFAOYSA-N
XLogP-1.27
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
4-(cyclohexanecarbonyl)piperazine-2,6-dione
CID 13063813
1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 119577018
1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone
CID 107406558
1-acetylpiperidine-3-carboxylic acid
CID 14043896
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854
(3S)-1-acetylpiperidine-3-carboxylate
CID 7131083
9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72879124
3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-1-carboxamide
CID 66075175
3-[1-(1-acetylpiperidine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134797018
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
4-(piperidine-4-carbonyl)piperazine-2,6-dione
CID 66084412

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione (CID 66083193) is 4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione is CC(=O)N1CCCC(C(=O)N2CC(=O)NC(=O)C2)C1.
What is the InChIKey of 4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione?
The InChIKey is RMLJGMUTWKIAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8(16)14-4-2-3-9(5-14)12(19)15-6-10(17)13-11(18)7-15/h9H,2-7H2,1H3,(H,13,17,18).
What are the key properties of 4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione?
4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione has a molecular weight of 267.28 g/mol, XLogP of -1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66083193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).