(3S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid

C14H18N2O4 — CID 81126270

IUPAC(3S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCC[C@H](C(=O)O)C2)c(=O)[nH]1
InChIInChI=1S/C14H18N2O4/c1-8-6-9(2)15-12(17)11(8)13(18)16-5-3-4-10(7-16)14(19)20/h6,10H,3-5,7H2,1-2H3,(H,15,17)(H,19,20)/t10-/m0/s1
InChIKeyPUUNKLDLXOTVHB-JTQLQIEISA-N
MW278.31 g/mol
LogP0.93
Rot. Bonds2

About (3S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81126270) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (3S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID81126270
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(3S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCC[C@H](C(=O)O)C2)c(=O)[nH]1
InChIInChI=1S/C14H18N2O4/c1-8-6-9(2)15-12(17)11(8)13(18)16-5-3-4-10(7-16)14(19)20/h6,10H,3-5,7H2,1-2H3,(H,15,17)(H,19,20)/t10-/m0/s1
InChIKeyPUUNKLDLXOTVHB-JTQLQIEISA-N
XLogP0.93
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid (CID 81126270) is (3S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid is Cc1cc(C)c(C(=O)N2CCC[C@H](C(=O)O)C2)c(=O)[nH]1.
What is the InChIKey of (3S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is PUUNKLDLXOTVHB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-6-9(2)15-12(17)11(8)13(18)16-5-3-4-10(7-16)14(19)20/h6,10H,3-5,7H2,1-2H3,(H,15,17)(H,19,20)/t10-/m0/s1.
What are the key properties of (3S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81126270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).