3-methyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione

C11H16N2O4 — CID 66061141

IUPAC3-methyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)CC1CCCO1
InChIInChI=1S/C11H16N2O4/c1-7-11(16)12-9(14)6-13(7)10(15)5-8-3-2-4-17-8/h7-8H,2-6H2,1H3,(H,12,14,16)
InChIKeyYUPHNOHIDSJTRA-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.57
Rot. Bonds2

About 3-methyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione

3-methyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione (PubChem CID 66061141) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-methyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione
PubChem CID66061141
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-methyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)CC1CCCO1
InChIInChI=1S/C11H16N2O4/c1-7-11(16)12-9(14)6-13(7)10(15)5-8-3-2-4-17-8/h7-8H,2-6H2,1H3,(H,12,14,16)
InChIKeyYUPHNOHIDSJTRA-UHFFFAOYSA-N
XLogP-0.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione
CID 104856137
3-methyl-4-(oxolane-2-carbonyl)piperazine-2,6-dione
CID 66063083
3,3-dimethyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione
CID 66074558
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
4-[2-(1-methoxycyclobutyl)acetyl]-3-methylpiperazine-2,6-dione
CID 103557215
1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 66062486
1-[(2R)-2-methylpiperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 82704997
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 65160741
3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione
CID 113462493
1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
CID 120570972
2-[carboxymethyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]acetic acid
CID 66074682
2-amino-N-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide
CID 66061602

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione (CID 66061141) is 3-methyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)CC1CCCO1.
What is the InChIKey of 3-methyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione?
The InChIKey is YUPHNOHIDSJTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7-11(16)12-9(14)6-13(7)10(15)5-8-3-2-4-17-8/h7-8H,2-6H2,1H3,(H,12,14,16).
What are the key properties of 3-methyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione?
3-methyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione has a molecular weight of 240.26 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione is sourced from PubChem (CID 66061141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).