1-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxylic acid

C14H20N2O3 — CID 154284116

IUPAC1-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxylic acid
SMILESCc1c(N2CCCC(C(=O)O)C2)cc(=O)n(C)c1C
InChIInChI=1S/C14H20N2O3/c1-9-10(2)15(3)13(17)7-12(9)16-6-4-5-11(8-16)14(18)19/h7,11H,4-6,8H2,1-3H3,(H,18,19)
InChIKeyDASYNWBUIYJDIP-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.30
Rot. Bonds2

About 1-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxylic acid

1-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxylic acid (PubChem CID 154284116) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxylic acid
PubChem CID154284116
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxylic acid
SMILESCc1c(N2CCCC(C(=O)O)C2)cc(=O)n(C)c1C
InChIInChI=1S/C14H20N2O3/c1-9-10(2)15(3)13(17)7-12(9)16-6-4-5-11(8-16)14(18)19/h7,11H,4-6,8H2,1-3H3,(H,18,19)
InChIKeyDASYNWBUIYJDIP-UHFFFAOYSA-N
XLogP1.30
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxylic acid (CID 154284116) is 1-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxylic acid is Cc1c(N2CCCC(C(=O)O)C2)cc(=O)n(C)c1C.
What is the InChIKey of 1-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxylic acid?
The InChIKey is DASYNWBUIYJDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-10(2)15(3)13(17)7-12(9)16-6-4-5-11(8-16)14(18)19/h7,11H,4-6,8H2,1-3H3,(H,18,19).
What are the key properties of 1-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxylic acid?
1-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3-trimethyl-6-oxo-4-pyridinyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 154284116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).