3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione

C10H14N2O4 — CID 104856137

IUPAC3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)[C@H]1CCCO1
InChIInChI=1S/C10H14N2O4/c1-6-9(14)11-8(13)5-12(6)10(15)7-3-2-4-16-7/h6-7H,2-5H2,1H3,(H,11,13,14)/t6?,7-/m1/s1
InChIKeyPNAAZMYDOWBGID-COBSHVIPSA-N
MW226.23 g/mol
LogP-0.96
Rot. Bonds1

About 3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione

3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione (PubChem CID 104856137) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione
PubChem CID104856137
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)[C@H]1CCCO1
InChIInChI=1S/C10H14N2O4/c1-6-9(14)11-8(13)5-12(6)10(15)7-3-2-4-16-7/h6-7H,2-5H2,1H3,(H,11,13,14)/t6?,7-/m1/s1
InChIKeyPNAAZMYDOWBGID-COBSHVIPSA-N
XLogP-0.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-(oxolane-2-carbonyl)piperazine-2,6-dione
CID 66063083
3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione
CID 113462493
3-methyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione
CID 66061141
3-methyl-4-(oxane-2-carbonyl)piperazin-2-one
CID 63607255
3-methyl-4-(thiane-2-carbonyl)piperazine-2,6-dione
CID 80595992
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
(2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone
CID 110739759
3-methyl-4-(3-methyl-2-sulfanylbutanoyl)piperazine-2,6-dione
CID 107031724
2-methyl-3,5-dioxopiperazine-1-carbohydrazide
CID 66074885
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 102737927
6-methyl-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 167847220
4-(2-amino-1-methylcyclopentanecarbonyl)-3-methylpiperazine-2,6-dione
CID 82768178

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione (CID 104856137) is 3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)[C@H]1CCCO1.
What is the InChIKey of 3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione?
The InChIKey is PNAAZMYDOWBGID-COBSHVIPSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6-9(14)11-8(13)5-12(6)10(15)7-3-2-4-16-7/h6-7H,2-5H2,1H3,(H,11,13,14)/t6?,7-/m1/s1.
What are the key properties of 3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione?
3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione has a molecular weight of 226.23 g/mol, XLogP of -0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione is sourced from PubChem (CID 104856137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).