1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid

C13H14N2O5 — CID 115918253

IUPAC1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cccnc2)CC1C(=O)O
InChIInChI=1S/C13H14N2O5/c16-11(8-2-1-4-14-6-8)15-5-3-9(12(17)18)10(7-15)13(19)20/h1-2,4,6,9-10H,3,5,7H2,(H,17,18)(H,19,20)
InChIKeyRXUNWXNKDUITKG-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.33
Rot. Bonds3

About 1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid

1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid (PubChem CID 115918253) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
PubChem CID115918253
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cccnc2)CC1C(=O)O
InChIInChI=1S/C13H14N2O5/c16-11(8-2-1-4-14-6-8)15-5-3-9(12(17)18)10(7-15)13(19)20/h1-2,4,6,9-10H,3,5,7H2,(H,17,18)(H,19,20)
InChIKeyRXUNWXNKDUITKG-UHFFFAOYSA-N
XLogP0.33
TPSA107.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone
CID 98470590
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215
pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
(3R,4S)-4-(4-fluorophenyl)-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 16668666
2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 162812465
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
CID 114499676
1-(4-methylbenzoyl)piperidine-3,4-dicarboxylic acid
CID 115918184
[(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-ylmethanone
CID 97385070

Frequently Asked Questions

What is the IUPAC name of 1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid (CID 115918253) is 1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid is O=C(O)C1CCN(C(=O)c2cccnc2)CC1C(=O)O.
What is the InChIKey of 1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is RXUNWXNKDUITKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c16-11(8-2-1-4-14-6-8)15-5-3-9(12(17)18)10(7-15)13(19)20/h1-2,4,6,9-10H,3,5,7H2,(H,17,18)(H,19,20).
What are the key properties of 1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid?
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 278.26 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 115918253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).