5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid

C15H20N2O3 — CID 845046

IUPAC5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H20N2O3/c18-14(7-4-8-15(19)20)17-11-9-16(10-12-17)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,19,20)
InChIKeyCJGANWYFFYFQPH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.59
Rot. Bonds5

About 5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid

5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid (PubChem CID 845046) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid
PubChem CID845046
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H20N2O3/c18-14(7-4-8-15(19)20)17-11-9-16(10-12-17)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,19,20)
InChIKeyCJGANWYFFYFQPH-UHFFFAOYSA-N
XLogP1.59
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid?
The IUPAC name of 5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid (CID 845046) is 5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for 5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid is O=C(O)CCCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid?
The InChIKey is CJGANWYFFYFQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(7-4-8-15(19)20)17-11-9-16(10-12-17)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,19,20).
What are the key properties of 5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid?
5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 845046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).