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

C9H16N2O3 — CID 59715875

IUPACethyl 2-(1-methyl-3-oxopiperazin-2-yl)acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C
InChIInChI=1S/C9H16N2O3/c1-3-14-8(12)6-7-9(13)10-4-5-11(7)2/h7H,3-6H2,1-2H3,(H,10,13)
InChIKeyKEOLWSQHELLZCS-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.63
Rot. Bonds3

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

ethyl 2-(1-methyl-3-oxopiperazin-2-yl)acetate (PubChem CID 59715875) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethyl 2-(1-methyl-3-oxopiperazin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-methyl-3-oxopiperazin-2-yl)acetate
PubChem CID59715875
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethyl 2-(1-methyl-3-oxopiperazin-2-yl)acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C
InChIInChI=1S/C9H16N2O3/c1-3-14-8(12)6-7-9(13)10-4-5-11(7)2/h7H,3-6H2,1-2H3,(H,10,13)
InChIKeyKEOLWSQHELLZCS-UHFFFAOYSA-N
XLogP-0.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methyl-3-oxopiperazin-2-yl)acetate?
The IUPAC name of ethyl 2-(1-methyl-3-oxopiperazin-2-yl)acetate (CID 59715875) is ethyl 2-(1-methyl-3-oxopiperazin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(1-methyl-3-oxopiperazin-2-yl)acetate?
The canonical SMILES for ethyl 2-(1-methyl-3-oxopiperazin-2-yl)acetate is CCOC(=O)CC1C(=O)NCCN1C.
What is the InChIKey of ethyl 2-(1-methyl-3-oxopiperazin-2-yl)acetate?
The InChIKey is KEOLWSQHELLZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-14-8(12)6-7-9(13)10-4-5-11(7)2/h7H,3-6H2,1-2H3,(H,10,13).
What are the key properties of ethyl 2-(1-methyl-3-oxopiperazin-2-yl)acetate?
ethyl 2-(1-methyl-3-oxopiperazin-2-yl)acetate has a molecular weight of 200.24 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methyl-3-oxopiperazin-2-yl)acetate is sourced from PubChem (CID 59715875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).