5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanoic acid

C15H19FN2O3 — CID 735745

IUPAC5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN2O3/c16-12-4-6-13(7-5-12)17-8-10-18(11-9-17)14(19)2-1-3-15(20)21/h4-7H,1-3,8-11H2,(H,20,21)
InChIKeyWRHRAYXDNAARBQ-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.73
Rot. Bonds5

About 5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanoic acid

5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanoic acid (PubChem CID 735745) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanoic acid
PubChem CID735745
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN2O3/c16-12-4-6-13(7-5-12)17-8-10-18(11-9-17)14(19)2-1-3-15(20)21/h4-7H,1-3,8-11H2,(H,20,21)
InChIKeyWRHRAYXDNAARBQ-UHFFFAOYSA-N
XLogP1.73
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanoic acid (CID 735745) is 5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanoic acid is O=C(O)CCCC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanoic acid?
The InChIKey is WRHRAYXDNAARBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-12-4-6-13(7-5-12)17-8-10-18(11-9-17)14(19)2-1-3-15(20)21/h4-7H,1-3,8-11H2,(H,20,21).
What are the key properties of 5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanoic acid?
5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanoic acid has a molecular weight of 294.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 735745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).