1-[(1-methyl-6-oxo-2-pyridinyl)oxy]piperidine-4-carboxylic acid

C12H16N2O4 — CID 69441423

IUPAC1-[(1-methyl-6-oxo-2-pyridinyl)oxy]piperidine-4-carboxylic acid
SMILESCn1c(ON2CCC(C(=O)O)CC2)cccc1=O
InChIInChI=1S/C12H16N2O4/c1-13-10(15)3-2-4-11(13)18-14-7-5-9(6-8-14)12(16)17/h2-4,9H,5-8H2,1H3,(H,16,17)
InChIKeyRNUSMUGFCBYRBP-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.48
Rot. Bonds3

About 1-[(1-methyl-6-oxo-2-pyridinyl)oxy]piperidine-4-carboxylic acid

1-[(1-methyl-6-oxo-2-pyridinyl)oxy]piperidine-4-carboxylic acid (PubChem CID 69441423) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[(1-methyl-6-oxo-2-pyridinyl)oxy]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methyl-6-oxo-2-pyridinyl)oxy]piperidine-4-carboxylic acid
PubChem CID69441423
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1-[(1-methyl-6-oxo-2-pyridinyl)oxy]piperidine-4-carboxylic acid
SMILESCn1c(ON2CCC(C(=O)O)CC2)cccc1=O
InChIInChI=1S/C12H16N2O4/c1-13-10(15)3-2-4-11(13)18-14-7-5-9(6-8-14)12(16)17/h2-4,9H,5-8H2,1H3,(H,16,17)
InChIKeyRNUSMUGFCBYRBP-UHFFFAOYSA-N
XLogP0.48
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-6-oxo-2-pyridinyl)oxy]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(1-methyl-6-oxo-2-pyridinyl)oxy]piperidine-4-carboxylic acid (CID 69441423) is 1-[(1-methyl-6-oxo-2-pyridinyl)oxy]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1-methyl-6-oxo-2-pyridinyl)oxy]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1-methyl-6-oxo-2-pyridinyl)oxy]piperidine-4-carboxylic acid is Cn1c(ON2CCC(C(=O)O)CC2)cccc1=O.
What is the InChIKey of 1-[(1-methyl-6-oxo-2-pyridinyl)oxy]piperidine-4-carboxylic acid?
The InChIKey is RNUSMUGFCBYRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-13-10(15)3-2-4-11(13)18-14-7-5-9(6-8-14)12(16)17/h2-4,9H,5-8H2,1H3,(H,16,17).
What are the key properties of 1-[(1-methyl-6-oxo-2-pyridinyl)oxy]piperidine-4-carboxylic acid?
1-[(1-methyl-6-oxo-2-pyridinyl)oxy]piperidine-4-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-6-oxo-2-pyridinyl)oxy]piperidine-4-carboxylic acid is sourced from PubChem (CID 69441423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).