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

C15H16F2N2O4 — CID 3841622

IUPACethyl 2-[1-(2,4-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H16F2N2O4/c1-2-23-13(20)8-12-14(21)18-5-6-19(12)15(22)10-4-3-9(16)7-11(10)17/h3-4,7,12H,2,5-6,8H2,1H3,(H,18,21)
InChIKeyBNZRSIGHDXIZTF-UHFFFAOYSA-N
MW326.30 g/mol
LogP0.86
Rot. Bonds4

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

ethyl 2-[1-(2,4-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 3841622) has the molecular formula C15H16F2N2O4 and a molecular weight of 326.30 g/mol. Its IUPAC name is ethyl 2-[1-(2,4-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2,4-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate
PubChem CID3841622
Molecular FormulaC15H16F2N2O4
Molecular Weight326.30 g/mol
Exact Mass326.11
IUPAC Nameethyl 2-[1-(2,4-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H16F2N2O4/c1-2-23-13(20)8-12-14(21)18-5-6-19(12)15(22)10-4-3-9(16)7-11(10)17/h3-4,7,12H,2,5-6,8H2,1H3,(H,18,21)
InChIKeyBNZRSIGHDXIZTF-UHFFFAOYSA-N
XLogP0.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2,4-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-(2,4-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate (CID 3841622) is ethyl 2-[1-(2,4-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(2,4-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-(2,4-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate is CCOC(=O)CC1C(=O)NCCN1C(=O)c1ccc(F)cc1F.
What is the InChIKey of ethyl 2-[1-(2,4-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is BNZRSIGHDXIZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O4/c1-2-23-13(20)8-12-14(21)18-5-6-19(12)15(22)10-4-3-9(16)7-11(10)17/h3-4,7,12H,2,5-6,8H2,1H3,(H,18,21).
What are the key properties of ethyl 2-[1-(2,4-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate?
ethyl 2-[1-(2,4-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 326.30 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2,4-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 3841622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).