(3S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid

C13H16N2O4 — CID 51888683

IUPAC(3S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid
SMILESCn1ccc(C(=O)N2CCC[C@H](C(=O)O)C2)cc1=O
InChIInChI=1S/C13H16N2O4/c1-14-6-4-9(7-11(14)16)12(17)15-5-2-3-10(8-15)13(18)19/h4,6-7,10H,2-3,5,8H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyBACHKKMDBQNGMP-JTQLQIEISA-N
MW264.28 g/mol
LogP0.32
Rot. Bonds2

About (3S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 51888683) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (3S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID51888683
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(3S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid
SMILESCn1ccc(C(=O)N2CCC[C@H](C(=O)O)C2)cc1=O
InChIInChI=1S/C13H16N2O4/c1-14-6-4-9(7-11(14)16)12(17)15-5-2-3-10(8-15)13(18)19/h4,6-7,10H,2-3,5,8H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyBACHKKMDBQNGMP-JTQLQIEISA-N
XLogP0.32
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid (CID 51888683) is (3S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid is Cn1ccc(C(=O)N2CCC[C@H](C(=O)O)C2)cc1=O.
What is the InChIKey of (3S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is BACHKKMDBQNGMP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N2O4/c1-14-6-4-9(7-11(14)16)12(17)15-5-2-3-10(8-15)13(18)19/h4,6-7,10H,2-3,5,8H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (3S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 51888683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).