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

C15H20N2O4 — CID 61010108

IUPAC2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)CCn1ccccc1=O
InChIInChI=1S/C15H20N2O4/c18-13-6-2-3-8-16(13)10-7-14(19)17-9-4-1-5-12(17)11-15(20)21/h2-3,6,8,12H,1,4-5,7,9-11H2,(H,20,21)
InChIKeyDMDFXLHVPZOBSV-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.09
Rot. Bonds5

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

2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]acetic acid (PubChem CID 61010108) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]acetic acid
PubChem CID61010108
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)CCn1ccccc1=O
InChIInChI=1S/C15H20N2O4/c18-13-6-2-3-8-16(13)10-7-14(19)17-9-4-1-5-12(17)11-15(20)21/h2-3,6,8,12H,1,4-5,7,9-11H2,(H,20,21)
InChIKeyDMDFXLHVPZOBSV-UHFFFAOYSA-N
XLogP1.09
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]acetic acid (CID 61010108) is 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)CCn1ccccc1=O.
What is the InChIKey of 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]acetic acid?
The InChIKey is DMDFXLHVPZOBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-13-6-2-3-8-16(13)10-7-14(19)17-9-4-1-5-12(17)11-15(20)21/h2-3,6,8,12H,1,4-5,7,9-11H2,(H,20,21).
What are the key properties of 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]acetic acid?
2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61010108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).