1-(2-methoxyethyl)-3-[4-(oxane-4-carbonyl)piperazin-1-yl]pyrrolidin-2-one

C17H29N3O4 — CID 91925811

IUPAC1-(2-methoxyethyl)-3-[4-(oxane-4-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCOCCN1CCC(N2CCN(C(=O)C3CCOCC3)CC2)C1=O
InChIInChI=1S/C17H29N3O4/c1-23-13-10-19-5-2-15(17(19)22)18-6-8-20(9-7-18)16(21)14-3-11-24-12-4-14/h14-15H,2-13H2,1H3
InChIKeyXATLMCMDQHJDFG-UHFFFAOYSA-N
MW339.44 g/mol
LogP-0.20
Rot. Bonds5

About 1-(2-methoxyethyl)-3-[4-(oxane-4-carbonyl)piperazin-1-yl]pyrrolidin-2-one

1-(2-methoxyethyl)-3-[4-(oxane-4-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 91925811) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[4-(oxane-4-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[4-(oxane-4-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID91925811
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Name1-(2-methoxyethyl)-3-[4-(oxane-4-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCOCCN1CCC(N2CCN(C(=O)C3CCOCC3)CC2)C1=O
InChIInChI=1S/C17H29N3O4/c1-23-13-10-19-5-2-15(17(19)22)18-6-8-20(9-7-18)16(21)14-3-11-24-12-4-14/h14-15H,2-13H2,1H3
InChIKeyXATLMCMDQHJDFG-UHFFFAOYSA-N
XLogP-0.20
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[4-(oxane-4-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-3-[4-(oxane-4-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 91925811) is 1-(2-methoxyethyl)-3-[4-(oxane-4-carbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[4-(oxane-4-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-3-[4-(oxane-4-carbonyl)piperazin-1-yl]pyrrolidin-2-one is COCCN1CCC(N2CCN(C(=O)C3CCOCC3)CC2)C1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-[4-(oxane-4-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is XATLMCMDQHJDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-23-13-10-19-5-2-15(17(19)22)18-6-8-20(9-7-18)16(21)14-3-11-24-12-4-14/h14-15H,2-13H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-3-[4-(oxane-4-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
1-(2-methoxyethyl)-3-[4-(oxane-4-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 339.44 g/mol, XLogP of -0.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[4-(oxane-4-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 91925811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).