4-(3-methoxy-2-oxopropyl)-3,3-dimethylpiperazine-2,6-dione

C10H16N2O4 — CID 107507470

IUPAC4-(3-methoxy-2-oxopropyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCOCC(=O)CN1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C10H16N2O4/c1-10(2)9(15)11-8(14)5-12(10)4-7(13)6-16-3/h4-6H2,1-3H3,(H,11,14,15)
InChIKeyAWGPGKQGFBGSRS-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.06
Rot. Bonds4

About 4-(3-methoxy-2-oxopropyl)-3,3-dimethylpiperazine-2,6-dione

4-(3-methoxy-2-oxopropyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 107507470) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(3-methoxy-2-oxopropyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-methoxy-2-oxopropyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID107507470
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name4-(3-methoxy-2-oxopropyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCOCC(=O)CN1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C10H16N2O4/c1-10(2)9(15)11-8(14)5-12(10)4-7(13)6-16-3/h4-6H2,1-3H3,(H,11,14,15)
InChIKeyAWGPGKQGFBGSRS-UHFFFAOYSA-N
XLogP-1.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione
CID 66076122
2-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]prop-2-enoic acid
CID 66075748
4-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-3-methylbut-2-enoic acid
CID 77111230
3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
CID 66076498
4-[2-(2-bromophenyl)-2-oxoethyl]-3,3-dimethylpiperazine-2,6-dione
CID 66075364
4-[2-(2,6-difluorophenyl)-2-oxoethyl]-3,3-dimethylpiperazine-2,6-dione
CID 66074786
3-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-methylpropanoic acid
CID 66073616
4-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-ethylbut-2-enoic acid
CID 77112088
2-[2-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]phenyl]acetic acid
CID 115462958
methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetate
CID 112617395
3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione
CID 112603296
4-[2-(ethylamino)ethyl]-3,3-dimethylpiperazine-2,6-dione
CID 66073599

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-2-oxopropyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(3-methoxy-2-oxopropyl)-3,3-dimethylpiperazine-2,6-dione (CID 107507470) is 4-(3-methoxy-2-oxopropyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(3-methoxy-2-oxopropyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(3-methoxy-2-oxopropyl)-3,3-dimethylpiperazine-2,6-dione is COCC(=O)CN1CC(=O)NC(=O)C1(C)C.
What is the InChIKey of 4-(3-methoxy-2-oxopropyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is AWGPGKQGFBGSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-10(2)9(15)11-8(14)5-12(10)4-7(13)6-16-3/h4-6H2,1-3H3,(H,11,14,15).
What are the key properties of 4-(3-methoxy-2-oxopropyl)-3,3-dimethylpiperazine-2,6-dione?
4-(3-methoxy-2-oxopropyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 228.25 g/mol, XLogP of -1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-2-oxopropyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 107507470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).