4-(4-aminooxolane-3-carbonyl)-3-methylpiperazine-2,6-dione

C10H15N3O4 — CID 66237316

IUPAC4-(4-aminooxolane-3-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)C1COCC1N
InChIInChI=1S/C10H15N3O4/c1-5-9(15)12-8(14)2-13(5)10(16)6-3-17-4-7(6)11/h5-7H,2-4,11H2,1H3,(H,12,14,15)
InChIKeyAYOVJDLVJNTWLK-UHFFFAOYSA-N
MW241.25 g/mol
LogP-2.17
Rot. Bonds1

About 4-(4-aminooxolane-3-carbonyl)-3-methylpiperazine-2,6-dione

4-(4-aminooxolane-3-carbonyl)-3-methylpiperazine-2,6-dione (PubChem CID 66237316) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-(4-aminooxolane-3-carbonyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-aminooxolane-3-carbonyl)-3-methylpiperazine-2,6-dione
PubChem CID66237316
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name4-(4-aminooxolane-3-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)C1COCC1N
InChIInChI=1S/C10H15N3O4/c1-5-9(15)12-8(14)2-13(5)10(16)6-3-17-4-7(6)11/h5-7H,2-4,11H2,1H3,(H,12,14,15)
InChIKeyAYOVJDLVJNTWLK-UHFFFAOYSA-N
XLogP-2.17
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-2.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 124052102
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CID 66235631
CID 66241457
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CID 66258496
CID 66258496
CID 66258905
CID 66258905
CID 66266435
CID 66266435
CID 66266806
CID 66266806
CID 66267589
CID 66267589
CID 58185343
CID 58185343
CID 68390090
CID 68390090
CID 94545809
CID 94545809

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminooxolane-3-carbonyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(4-aminooxolane-3-carbonyl)-3-methylpiperazine-2,6-dione (CID 66237316) is 4-(4-aminooxolane-3-carbonyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-aminooxolane-3-carbonyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-aminooxolane-3-carbonyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)C1COCC1N.
What is the InChIKey of 4-(4-aminooxolane-3-carbonyl)-3-methylpiperazine-2,6-dione?
The InChIKey is AYOVJDLVJNTWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-5-9(15)12-8(14)2-13(5)10(16)6-3-17-4-7(6)11/h5-7H,2-4,11H2,1H3,(H,12,14,15).
What are the key properties of 4-(4-aminooxolane-3-carbonyl)-3-methylpiperazine-2,6-dione?
4-(4-aminooxolane-3-carbonyl)-3-methylpiperazine-2,6-dione has a molecular weight of 241.25 g/mol, XLogP of -2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminooxolane-3-carbonyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66237316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).