1-methyl-4-[(1S,2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione

C16H24N4O4 — CID 67914421

IUPAC1-methyl-4-[(1S,2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione
SMILESCN1C(=O)CN([C@H]2CCCC[C@@H]2N2CC(=O)N(C)C(=O)C2)CC1=O
InChIInChI=1S/C16H24N4O4/c1-17-13(21)7-19(8-14(17)22)11-5-3-4-6-12(11)20-9-15(23)18(2)16(24)10-20/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyUGWHAIIYIJKUEA-RYUDHWBXSA-N
MW336.39 g/mol
LogP-1.10
Rot. Bonds2

About 1-methyl-4-[(1S,2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione

1-methyl-4-[(1S,2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione (PubChem CID 67914421) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-methyl-4-[(1S,2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione.

Molecular Properties

Compound Name1-methyl-4-[(1S,2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione
PubChem CID67914421
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name1-methyl-4-[(1S,2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione
SMILESCN1C(=O)CN([C@H]2CCCC[C@@H]2N2CC(=O)N(C)C(=O)C2)CC1=O
InChIInChI=1S/C16H24N4O4/c1-17-13(21)7-19(8-14(17)22)11-5-3-4-6-12(11)20-9-15(23)18(2)16(24)10-20/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyUGWHAIIYIJKUEA-RYUDHWBXSA-N
XLogP-1.10
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-1.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,2-Bis(4-methyl-3,5-dioxopiperazin-1-YL)propane, (R)-
CID 126086
1,4-Dicyclohexylpiperazine-2,5-dione
CID 20276902
2-(2-Methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
CID 3226817
2-(4-Methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 3229438
N-cyclohexyl-2-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]-N-ethylacetamide
CID 3577616
4,4'-(Cyclohexane-1,2-diyl)di(piperazine-2,6-dione)
CID 281808
1-methyl-4-[(1R,2R)-2-(4-methyl-3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione
CID 9819138
1-Methyl-4-[2-(4-methyl-3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
CID 10108597
4-[(1R,2R)-2-(3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione
CID 15077645
1-methyl-4-[(2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
CID 16722850
3,3,4,5,5-Pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione
CID 20741653
1-[2-(2,3-Dioxopiperazin-1-yl)cyclohexyl]piperazine-2,3-dione
CID 54430684

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1S,2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione?
The IUPAC name of 1-methyl-4-[(1S,2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione (CID 67914421) is 1-methyl-4-[(1S,2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione.
What is the SMILES notation for 1-methyl-4-[(1S,2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione?
The canonical SMILES for 1-methyl-4-[(1S,2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione is CN1C(=O)CN([C@H]2CCCC[C@@H]2N2CC(=O)N(C)C(=O)C2)CC1=O.
What is the InChIKey of 1-methyl-4-[(1S,2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione?
The InChIKey is UGWHAIIYIJKUEA-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-17-13(21)7-19(8-14(17)22)11-5-3-4-6-12(11)20-9-15(23)18(2)16(24)10-20/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of 1-methyl-4-[(1S,2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione?
1-methyl-4-[(1S,2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione has a molecular weight of 336.39 g/mol, XLogP of -1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1S,2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione is sourced from PubChem (CID 67914421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).