ethyl 4-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperazine-1-carboxylate

C18H24FN3O3 — CID 24593703

IUPACethyl 4-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(C(=O)NC2CC2)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FN3O3/c1-2-25-18(24)22-11-9-21(10-12-22)16(17(23)20-15-7-8-15)13-3-5-14(19)6-4-13/h3-6,15-16H,2,7-12H2,1H3,(H,20,23)
InChIKeyODOKBQZGSAFDRG-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.92
Rot. Bonds5

About ethyl 4-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperazine-1-carboxylate

ethyl 4-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 24593703) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is ethyl 4-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperazine-1-carboxylate
PubChem CID24593703
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Nameethyl 4-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(C(=O)NC2CC2)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FN3O3/c1-2-25-18(24)22-11-9-21(10-12-22)16(17(23)20-15-7-8-15)13-3-5-14(19)6-4-13/h3-6,15-16H,2,7-12H2,1H3,(H,20,23)
InChIKeyODOKBQZGSAFDRG-UHFFFAOYSA-N
XLogP1.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperazine-1-carboxylate (CID 24593703) is ethyl 4-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(C(=O)NC2CC2)c2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 4-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is ODOKBQZGSAFDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-2-25-18(24)22-11-9-21(10-12-22)16(17(23)20-15-7-8-15)13-3-5-14(19)6-4-13/h3-6,15-16H,2,7-12H2,1H3,(H,20,23).
What are the key properties of ethyl 4-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperazine-1-carboxylate?
ethyl 4-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 349.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 24593703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).