(2R,3R)-2-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid

C15H20N2O4 — CID 122116736

IUPAC(2R,3R)-2-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid
SMILESCc1ccn(CC(=O)N2CCC[C@@H](C(=O)O)[C@H]2C)c(=O)c1
InChIInChI=1S/C15H20N2O4/c1-10-5-7-16(13(18)8-10)9-14(19)17-6-3-4-12(11(17)2)15(20)21/h5,7-8,11-12H,3-4,6,9H2,1-2H3,(H,20,21)/t11-,12-/m1/s1
InChIKeyFCJQHLZQKXRACT-VXGBXAGGSA-N
MW292.33 g/mol
LogP0.87
Rot. Bonds3

About (2R,3R)-2-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid

(2R,3R)-2-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid (PubChem CID 122116736) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2R,3R)-2-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid
PubChem CID122116736
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(2R,3R)-2-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid
SMILESCc1ccn(CC(=O)N2CCC[C@@H](C(=O)O)[C@H]2C)c(=O)c1
InChIInChI=1S/C15H20N2O4/c1-10-5-7-16(13(18)8-10)9-14(19)17-6-3-4-12(11(17)2)15(20)21/h5,7-8,11-12H,3-4,6,9H2,1-2H3,(H,20,21)/t11-,12-/m1/s1
InChIKeyFCJQHLZQKXRACT-VXGBXAGGSA-N
XLogP0.87
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid (CID 122116736) is (2R,3R)-2-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid is Cc1ccn(CC(=O)N2CCC[C@@H](C(=O)O)[C@H]2C)c(=O)c1.
What is the InChIKey of (2R,3R)-2-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is FCJQHLZQKXRACT-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-5-7-16(13(18)8-10)9-14(19)17-6-3-4-12(11(17)2)15(20)21/h5,7-8,11-12H,3-4,6,9H2,1-2H3,(H,20,21)/t11-,12-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid?
(2R,3R)-2-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122116736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).