1-tert-butyl-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid

C15H20N2O3 — CID 63379159

IUPAC1-tert-butyl-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid
SMILESCC(C)(C)N1C(=O)CCC(C(=O)O)C1c1ccccn1
InChIInChI=1S/C15H20N2O3/c1-15(2,3)17-12(18)8-7-10(14(19)20)13(17)11-6-4-5-9-16-11/h4-6,9-10,13H,7-8H2,1-3H3,(H,19,20)
InChIKeyRZLQBVNZDNIFQX-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.24
Rot. Bonds2

About 1-tert-butyl-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid

1-tert-butyl-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid (PubChem CID 63379159) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-tert-butyl-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid
PubChem CID63379159
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-tert-butyl-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid
SMILESCC(C)(C)N1C(=O)CCC(C(=O)O)C1c1ccccn1
InChIInChI=1S/C15H20N2O3/c1-15(2,3)17-12(18)8-7-10(14(19)20)13(17)11-6-4-5-9-16-11/h4-6,9-10,13H,7-8H2,1-3H3,(H,19,20)
InChIKeyRZLQBVNZDNIFQX-UHFFFAOYSA-N
XLogP2.24
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid?
The IUPAC name of 1-tert-butyl-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid (CID 63379159) is 1-tert-butyl-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-tert-butyl-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid is CC(C)(C)N1C(=O)CCC(C(=O)O)C1c1ccccn1.
What is the InChIKey of 1-tert-butyl-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid?
The InChIKey is RZLQBVNZDNIFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,3)17-12(18)8-7-10(14(19)20)13(17)11-6-4-5-9-16-11/h4-6,9-10,13H,7-8H2,1-3H3,(H,19,20).
What are the key properties of 1-tert-butyl-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid?
1-tert-butyl-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63379159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).