ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate

C9H16N2O3 — CID 64693243

IUPACethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate
SMILESCCOC(=O)CN1CCN(C)C(=O)C1
InChIInChI=1S/C9H16N2O3/c1-3-14-9(13)7-11-5-4-10(2)8(12)6-11/h3-7H2,1-2H3
InChIKeyYRSVMGODPNCVAE-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.68
Rot. Bonds3

About ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate

ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate (PubChem CID 64693243) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate
PubChem CID64693243
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate
SMILESCCOC(=O)CN1CCN(C)C(=O)C1
InChIInChI=1S/C9H16N2O3/c1-3-14-9(13)7-11-5-4-10(2)8(12)6-11/h3-7H2,1-2H3
InChIKeyYRSVMGODPNCVAE-UHFFFAOYSA-N
XLogP-0.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate (CID 64693243) is ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate is CCOC(=O)CN1CCN(C)C(=O)C1.
What is the InChIKey of ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate?
The InChIKey is YRSVMGODPNCVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-14-9(13)7-11-5-4-10(2)8(12)6-11/h3-7H2,1-2H3.
What are the key properties of ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate?
ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate has a molecular weight of 200.24 g/mol, XLogP of -0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate is sourced from PubChem (CID 64693243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).