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

C11H17N3O3 — CID 113430865

IUPAC4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione
SMILESCC1(C(=O)N2CC(=O)NC(=O)C2)CCCCN1
InChIInChI=1S/C11H17N3O3/c1-11(4-2-3-5-12-11)10(17)14-6-8(15)13-9(16)7-14/h12H,2-7H2,1H3,(H,13,15,16)
InChIKeyVEXICXCDJQPJOC-UHFFFAOYSA-N
MW239.27 g/mol
LogP-1.00
Rot. Bonds1

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

4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione (PubChem CID 113430865) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione
PubChem CID113430865
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione
SMILESCC1(C(=O)N2CC(=O)NC(=O)C2)CCCCN1
InChIInChI=1S/C11H17N3O3/c1-11(4-2-3-5-12-11)10(17)14-6-8(15)13-9(16)7-14/h12H,2-7H2,1H3,(H,13,15,16)
InChIKeyVEXICXCDJQPJOC-UHFFFAOYSA-N
XLogP-1.00
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 ≤ 5-1.00
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

azetidin-1-yl-(2-methylpiperidin-2-yl)methanone
CID 126980517
1-(2-methylpiperidine-2-carbonyl)-1,4-diazepan-5-one
CID 104596776
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone
CID 104597039
(3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone
CID 107217478
(2-methylpiperidin-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114536777
(2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 104596814
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpyrrolidin-2-yl)methanone
CID 106313796
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-methylpiperidin-2-yl)methanone
CID 113430850
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone
CID 104596862
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone
CID 104596766
(2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide
CID 124691551
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-methylpiperidin-2-yl)methanone
CID 104597165

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione (CID 113430865) is 4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione is CC1(C(=O)N2CC(=O)NC(=O)C2)CCCCN1.
What is the InChIKey of 4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione?
The InChIKey is VEXICXCDJQPJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(4-2-3-5-12-11)10(17)14-6-8(15)13-9(16)7-14/h12H,2-7H2,1H3,(H,13,15,16).
What are the key properties of 4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione?
4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione has a molecular weight of 239.27 g/mol, XLogP of -1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 113430865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).