ethyl 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate

C16H20N2O4 — CID 3840559

IUPACethyl 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C(=O)c1ccc(C)cc1
InChIInChI=1S/C16H20N2O4/c1-3-22-14(19)10-13-15(20)17-8-9-18(13)16(21)12-6-4-11(2)5-7-12/h4-7,13H,3,8-10H2,1-2H3,(H,17,20)
InChIKeyUDUGABBPQCHNJG-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.89
Rot. Bonds4

About ethyl 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate

ethyl 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 3840559) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate
PubChem CID3840559
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Nameethyl 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C(=O)c1ccc(C)cc1
InChIInChI=1S/C16H20N2O4/c1-3-22-14(19)10-13-15(20)17-8-9-18(13)16(21)12-6-4-11(2)5-7-12/h4-7,13H,3,8-10H2,1-2H3,(H,17,20)
InChIKeyUDUGABBPQCHNJG-UHFFFAOYSA-N
XLogP0.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate (CID 3840559) is ethyl 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate is CCOC(=O)CC1C(=O)NCCN1C(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is UDUGABBPQCHNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-3-22-14(19)10-13-15(20)17-8-9-18(13)16(21)12-6-4-11(2)5-7-12/h4-7,13H,3,8-10H2,1-2H3,(H,17,20).
What are the key properties of ethyl 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate?
ethyl 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 304.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 3840559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).