2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]acetic acid

C14H19N3O4 — CID 43521363

IUPAC2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)CCn2ccccc2=O)CC1
InChIInChI=1S/C14H19N3O4/c18-12-3-1-2-5-16(12)6-4-13(19)17-9-7-15(8-10-17)11-14(20)21/h1-3,5H,4,6-11H2,(H,20,21)
InChIKeyVTKXOTNRCBYLCM-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.53
Rot. Bonds5

About 2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]acetic acid

2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]acetic acid (PubChem CID 43521363) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]acetic acid
PubChem CID43521363
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)CCn2ccccc2=O)CC1
InChIInChI=1S/C14H19N3O4/c18-12-3-1-2-5-16(12)6-4-13(19)17-9-7-15(8-10-17)11-14(20)21/h1-3,5H,4,6-11H2,(H,20,21)
InChIKeyVTKXOTNRCBYLCM-UHFFFAOYSA-N
XLogP-0.53
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]acetic acid (CID 43521363) is 2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)CCn2ccccc2=O)CC1.
What is the InChIKey of 2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]acetic acid?
The InChIKey is VTKXOTNRCBYLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-12-3-1-2-5-16(12)6-4-13(19)17-9-7-15(8-10-17)11-14(20)21/h1-3,5H,4,6-11H2,(H,20,21).
What are the key properties of 2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]acetic acid?
2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).