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

C15H18F2N2O3 — CID 24716098

IUPACethyl 2-[4-(2,4-difluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2ccc(F)cc2F)C(=O)C1C
InChIInChI=1S/C15H18F2N2O3/c1-3-22-14(20)9-18-6-7-19(15(21)10(18)2)13-5-4-11(16)8-12(13)17/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyVHQQYKVESKQIGO-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.57
Rot. Bonds4

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

ethyl 2-[4-(2,4-difluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate (PubChem CID 24716098) has the molecular formula C15H18F2N2O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is ethyl 2-[4-(2,4-difluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2,4-difluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
PubChem CID24716098
Molecular FormulaC15H18F2N2O3
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Nameethyl 2-[4-(2,4-difluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2ccc(F)cc2F)C(=O)C1C
InChIInChI=1S/C15H18F2N2O3/c1-3-22-14(20)9-18-6-7-19(15(21)10(18)2)13-5-4-11(16)8-12(13)17/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyVHQQYKVESKQIGO-UHFFFAOYSA-N
XLogP1.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2,4-difluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(2,4-difluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate (CID 24716098) is ethyl 2-[4-(2,4-difluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(2,4-difluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(2,4-difluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate is CCOC(=O)CN1CCN(c2ccc(F)cc2F)C(=O)C1C.
What is the InChIKey of ethyl 2-[4-(2,4-difluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate?
The InChIKey is VHQQYKVESKQIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O3/c1-3-22-14(20)9-18-6-7-19(15(21)10(18)2)13-5-4-11(16)8-12(13)17/h4-5,8,10H,3,6-7,9H2,1-2H3.
What are the key properties of ethyl 2-[4-(2,4-difluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate?
ethyl 2-[4-(2,4-difluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate has a molecular weight of 312.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2,4-difluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate is sourced from PubChem (CID 24716098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).