4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione

C12H17N3O5 — CID 66085744

IUPAC4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione
SMILESCOCCN1CC(C(=O)N2CC(=O)NC(=O)C2)CC1=O
InChIInChI=1S/C12H17N3O5/c1-20-3-2-14-5-8(4-11(14)18)12(19)15-6-9(16)13-10(17)7-15/h8H,2-7H2,1H3,(H,13,16,17)
InChIKeyWOFWBTGWYHDEJV-UHFFFAOYSA-N
MW283.28 g/mol
LogP-2.03
Rot. Bonds4

About 4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione

4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione (PubChem CID 66085744) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione
PubChem CID66085744
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione
SMILESCOCCN1CC(C(=O)N2CC(=O)NC(=O)C2)CC1=O
InChIInChI=1S/C12H17N3O5/c1-20-3-2-14-5-8(4-11(14)18)12(19)15-6-9(16)13-10(17)7-15/h8H,2-7H2,1H3,(H,13,16,17)
InChIKeyWOFWBTGWYHDEJV-UHFFFAOYSA-N
XLogP-2.03
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-2.03
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

(4R)-4-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 96512990
(4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 94046017
(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
CID 7061674
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146797
4-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperazine-2,6-dione
CID 66083143
1-(2-methoxyethyl)-4-[4-(2,2,2-trifluoroacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 131904664
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 119621718
4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 56747777
1-(2-methoxyethyl)-4-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 72846613
4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 119661649
1-(2-methoxyethyl)-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346315

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione?
The IUPAC name of 4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione (CID 66085744) is 4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione?
The canonical SMILES for 4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione is COCCN1CC(C(=O)N2CC(=O)NC(=O)C2)CC1=O.
What is the InChIKey of 4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione?
The InChIKey is WOFWBTGWYHDEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-20-3-2-14-5-8(4-11(14)18)12(19)15-6-9(16)13-10(17)7-15/h8H,2-7H2,1H3,(H,13,16,17).
What are the key properties of 4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione?
4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione has a molecular weight of 283.28 g/mol, XLogP of -2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione is sourced from PubChem (CID 66085744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).