1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-2-carboxylic acid

C14H18N2O4 — CID 43171086

IUPAC1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)CCn1ccccc1=O
InChIInChI=1S/C14H18N2O4/c17-12-6-2-3-8-15(12)10-7-13(18)16-9-4-1-5-11(16)14(19)20/h2-3,6,8,11H,1,4-5,7,9-10H2,(H,19,20)
InChIKeyRWUUZZOWHVNUFN-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.70
Rot. Bonds4

About 1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-2-carboxylic acid

1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-2-carboxylic acid (PubChem CID 43171086) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-2-carboxylic acid
PubChem CID43171086
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)CCn1ccccc1=O
InChIInChI=1S/C14H18N2O4/c17-12-6-2-3-8-15(12)10-7-13(18)16-9-4-1-5-11(16)14(19)20/h2-3,6,8,11H,1,4-5,7,9-10H2,(H,19,20)
InChIKeyRWUUZZOWHVNUFN-UHFFFAOYSA-N
XLogP0.70
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-2-carboxylic acid (CID 43171086) is 1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)CCn1ccccc1=O.
What is the InChIKey of 1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is RWUUZZOWHVNUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-12-6-2-3-8-15(12)10-7-13(18)16-9-4-1-5-11(16)14(19)20/h2-3,6,8,11H,1,4-5,7,9-10H2,(H,19,20).
What are the key properties of 1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-2-carboxylic acid?
1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43171086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).