ethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate

C16H21FN2O3 — CID 24715814

IUPACethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2ccc(C)c(F)c2)C(=O)C1C
InChIInChI=1S/C16H21FN2O3/c1-4-22-15(20)10-18-7-8-19(16(21)12(18)3)13-6-5-11(2)14(17)9-13/h5-6,9,12H,4,7-8,10H2,1-3H3
InChIKeyPFAMEJDBKWONME-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.73
Rot. Bonds4

About ethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate

ethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate (PubChem CID 24715814) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is ethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
PubChem CID24715814
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Nameethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2ccc(C)c(F)c2)C(=O)C1C
InChIInChI=1S/C16H21FN2O3/c1-4-22-15(20)10-18-7-8-19(16(21)12(18)3)13-6-5-11(2)14(17)9-13/h5-6,9,12H,4,7-8,10H2,1-3H3
InChIKeyPFAMEJDBKWONME-UHFFFAOYSA-N
XLogP1.73
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
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2-(4-Acetyl-piperazin-1-yl)-N-(3-fluoro-4-methyl-phenyl)-acetamide
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Ethyl 4-[3-(4-methylanilino)-3-oxopropyl]piperazine-1-carboxylate
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1-(4-Methylphenyl)-4-(morpholin-4-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 9859937
[4-(4-Methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone
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N-[[3-(4-benzylpiperazin-1-yl)oxetan-3-yl]methyl]-N-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate (CID 24715814) is ethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate is CCOC(=O)CN1CCN(c2ccc(C)c(F)c2)C(=O)C1C.
What is the InChIKey of ethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate?
The InChIKey is PFAMEJDBKWONME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-4-22-15(20)10-18-7-8-19(16(21)12(18)3)13-6-5-11(2)14(17)9-13/h5-6,9,12H,4,7-8,10H2,1-3H3.
What are the key properties of ethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate?
ethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate has a molecular weight of 308.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate is sourced from PubChem (CID 24715814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).