4-(3-methylpiperidine-2-carbonyl)piperazine-2,6-dione

C11H17N3O3 — CID 66061811

IUPAC4-(3-methylpiperidine-2-carbonyl)piperazine-2,6-dione
SMILESCC1CCCNC1C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C11H17N3O3/c1-7-3-2-4-12-10(7)11(17)14-5-8(15)13-9(16)6-14/h7,10,12H,2-6H2,1H3,(H,13,15,16)
InChIKeyRNUNBGXWPDTERN-UHFFFAOYSA-N
MW239.27 g/mol
LogP-1.14
Rot. Bonds1

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

4-(3-methylpiperidine-2-carbonyl)piperazine-2,6-dione (PubChem CID 66061811) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(3-methylpiperidine-2-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-methylpiperidine-2-carbonyl)piperazine-2,6-dione
PubChem CID66061811
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-(3-methylpiperidine-2-carbonyl)piperazine-2,6-dione
SMILESCC1CCCNC1C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C11H17N3O3/c1-7-3-2-4-12-10(7)11(17)14-5-8(15)13-9(16)6-14/h7,10,12H,2-6H2,1H3,(H,13,15,16)
InChIKeyRNUNBGXWPDTERN-UHFFFAOYSA-N
XLogP-1.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-diazepan-1-yl-(3-methylpiperidin-2-yl)methanone
CID 107067220
4-(cyclohexanecarbonyl)piperazine-2,6-dione
CID 13063813
(4-methoxypiperidin-1-yl)-(3-methylpiperidin-2-yl)methanone
CID 62339458
(3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid
CID 107068398
[3-(dimethylamino)pyrrolidin-1-yl]-(3-methylpiperidin-2-yl)methanone
CID 55224694
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-methylpiperidin-2-yl)methanone
CID 102933001
2,8-diazaspiro[3.5]nonan-2-yl-(3-methylpiperidin-2-yl)methanone
CID 155960810
(3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 85176427
1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone
CID 95735292
1-(3-methylpiperidin-2-yl)ethanone
CID 54775356
(3-methylpiperidin-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 63007381
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-2-yl)methanone
CID 107067794

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidine-2-carbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(3-methylpiperidine-2-carbonyl)piperazine-2,6-dione (CID 66061811) is 4-(3-methylpiperidine-2-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(3-methylpiperidine-2-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(3-methylpiperidine-2-carbonyl)piperazine-2,6-dione is CC1CCCNC1C(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(3-methylpiperidine-2-carbonyl)piperazine-2,6-dione?
The InChIKey is RNUNBGXWPDTERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-3-2-4-12-10(7)11(17)14-5-8(15)13-9(16)6-14/h7,10,12H,2-6H2,1H3,(H,13,15,16).
What are the key properties of 4-(3-methylpiperidine-2-carbonyl)piperazine-2,6-dione?
4-(3-methylpiperidine-2-carbonyl)piperazine-2,6-dione has a molecular weight of 239.27 g/mol, XLogP of -1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidine-2-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66061811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).