2-(2-oxopyrrolidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate

C18H30N4O4 — CID 58135866

IUPAC2-(2-oxopyrrolidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate
SMILESCN1CCC(N2CCN(C(=O)C(=O)OCCN3CCCC3=O)CC2)CC1
InChIInChI=1S/C18H30N4O4/c1-19-7-4-15(5-8-19)20-9-11-22(12-10-20)17(24)18(25)26-14-13-21-6-2-3-16(21)23/h15H,2-14H2,1H3
InChIKeyYCYWTSXURVGANP-UHFFFAOYSA-N
MW366.46 g/mol
LogP-0.61
Rot. Bonds4

About 2-(2-oxopyrrolidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate

2-(2-oxopyrrolidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate (PubChem CID 58135866) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate
PubChem CID58135866
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Name2-(2-oxopyrrolidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate
SMILESCN1CCC(N2CCN(C(=O)C(=O)OCCN3CCCC3=O)CC2)CC1
InChIInChI=1S/C18H30N4O4/c1-19-7-4-15(5-8-19)20-9-11-22(12-10-20)17(24)18(25)26-14-13-21-6-2-3-16(21)23/h15H,2-14H2,1H3
InChIKeyYCYWTSXURVGANP-UHFFFAOYSA-N
XLogP-0.61
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate (CID 58135866) is 2-(2-oxopyrrolidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate is CN1CCC(N2CCN(C(=O)C(=O)OCCN3CCCC3=O)CC2)CC1.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate?
The InChIKey is YCYWTSXURVGANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-19-7-4-15(5-8-19)20-9-11-22(12-10-20)17(24)18(25)26-14-13-21-6-2-3-16(21)23/h15H,2-14H2,1H3.
What are the key properties of 2-(2-oxopyrrolidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate?
2-(2-oxopyrrolidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate has a molecular weight of 366.46 g/mol, XLogP of -0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoacetate is sourced from PubChem (CID 58135866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).