ethyl 4-[2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]acetyl]piperazine-1-carboxylate

C19H24FN3O5 — CID 110305629

IUPACethyl 4-[2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)CCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O5/c1-2-28-19(27)23-11-9-22(10-12-23)18(26)13-21-17(25)8-7-16(24)14-3-5-15(20)6-4-14/h3-6H,2,7-13H2,1H3,(H,21,25)
InChIKeyGDMSIFVPJPGKCY-UHFFFAOYSA-N
MW393.42 g/mol
LogP1.21
Rot. Bonds7

About ethyl 4-[2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]acetyl]piperazine-1-carboxylate (PubChem CID 110305629) has the molecular formula C19H24FN3O5 and a molecular weight of 393.42 g/mol. Its IUPAC name is ethyl 4-[2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]acetyl]piperazine-1-carboxylate
PubChem CID110305629
Molecular FormulaC19H24FN3O5
Molecular Weight393.42 g/mol
Exact Mass393.17
IUPAC Nameethyl 4-[2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)CCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O5/c1-2-28-19(27)23-11-9-22(10-12-23)18(26)13-21-17(25)8-7-16(24)14-3-5-15(20)6-4-14/h3-6H,2,7-13H2,1H3,(H,21,25)
InChIKeyGDMSIFVPJPGKCY-UHFFFAOYSA-N
XLogP1.21
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]acetyl]piperazine-1-carboxylate with MolForge

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Related Compounds

4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide
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N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]butanamide
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ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate
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CID 109003914
ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2568966
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ethyl 4-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]piperazine-1-carboxylate
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N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]acetyl]piperazine-1-carboxylate (CID 110305629) is ethyl 4-[2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNC(=O)CCC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 4-[2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]acetyl]piperazine-1-carboxylate?
The InChIKey is GDMSIFVPJPGKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O5/c1-2-28-19(27)23-11-9-22(10-12-23)18(26)13-21-17(25)8-7-16(24)14-3-5-15(20)6-4-14/h3-6H,2,7-13H2,1H3,(H,21,25).
What are the key properties of ethyl 4-[2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]acetyl]piperazine-1-carboxylate has a molecular weight of 393.42 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 110305629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).