3-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-3-yl]propanoic acid

C14H18N2O4 — CID 90647917

IUPAC3-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(C(=O)c2cccc(=O)[nH]2)C1
InChIInChI=1S/C14H18N2O4/c17-12-5-1-4-11(15-12)14(20)16-8-2-3-10(9-16)6-7-13(18)19/h1,4-5,10H,2-3,6-9H2,(H,15,17)(H,18,19)
InChIKeyRCXPMBPHUIYBOA-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.09
Rot. Bonds4

About 3-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-3-yl]propanoic acid

3-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 90647917) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID90647917
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(C(=O)c2cccc(=O)[nH]2)C1
InChIInChI=1S/C14H18N2O4/c17-12-5-1-4-11(15-12)14(20)16-8-2-3-10(9-16)6-7-13(18)19/h1,4-5,10H,2-3,6-9H2,(H,15,17)(H,18,19)
InChIKeyRCXPMBPHUIYBOA-UHFFFAOYSA-N
XLogP1.09
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-3-yl]propanoic acid (CID 90647917) is 3-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-3-yl]propanoic acid is O=C(O)CCC1CCCN(C(=O)c2cccc(=O)[nH]2)C1.
What is the InChIKey of 3-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is RCXPMBPHUIYBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-12-5-1-4-11(15-12)14(20)16-8-2-3-10(9-16)6-7-13(18)19/h1,4-5,10H,2-3,6-9H2,(H,15,17)(H,18,19).
What are the key properties of 3-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-3-yl]propanoic acid?
3-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 90647917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).