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

C13H16N2O4 — CID 51888697

IUPAC(2S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid
SMILESCn1ccc(C(=O)N2CCCC[C@H]2C(=O)O)cc1=O
InChIInChI=1S/C13H16N2O4/c1-14-7-5-9(8-11(14)16)12(17)15-6-3-2-4-10(15)13(18)19/h5,7-8,10H,2-4,6H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyFKIVXFAXQUEDDA-JTQLQIEISA-N
MW264.28 g/mol
LogP0.46
Rot. Bonds2

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

(2S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid (PubChem CID 51888697) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid
PubChem CID51888697
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(2S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid
SMILESCn1ccc(C(=O)N2CCCC[C@H]2C(=O)O)cc1=O
InChIInChI=1S/C13H16N2O4/c1-14-7-5-9(8-11(14)16)12(17)15-6-3-2-4-10(15)13(18)19/h5,7-8,10H,2-4,6H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyFKIVXFAXQUEDDA-JTQLQIEISA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-Oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-2-carboxylic acid
CID 126781467
(2R)-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-2-carboxylic acid
CID 145880639
2-(3-Ethyl-5-methyl-2-oxo-1-pyridinyl)hexanoic acid
CID 20720615
1-(3-Methylbut-2-enoyl)piperidine-2-carboxylic acid
CID 43149208
1-[(E)-4-methylpent-2-enoyl]piperidine-2-carboxylic acid
CID 59745608
2-(4-Methyl-2-oxo-1-pyridinyl)pentanoic acid
CID 82032057
1-[(E)-3-methylpent-2-enoyl]piperidine-2-carboxylic acid
CID 89976380
(2S)-2-(4-methyl-2-oxo-1-pyridinyl)pentanoic acid
CID 92942126
2-[4-[(Dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 139579982
1-(3-Aminocyclohepta-1,3-diene-1-carbonyl)piperidine-2-carboxylic acid;ethane
CID 142171532
1-[(2E,4E)-4-amino-2-ethenylhexa-2,4-dienoyl]piperidine-2-carboxylic acid
CID 142883667
(2S)-5-methyl-2-(2-oxo-1-pyridinyl)hexanoic acid
CID 146189276

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid (CID 51888697) is (2S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid is Cn1ccc(C(=O)N2CCCC[C@H]2C(=O)O)cc1=O.
What is the InChIKey of (2S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is FKIVXFAXQUEDDA-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N2O4/c1-14-7-5-9(8-11(14)16)12(17)15-6-3-2-4-10(15)13(18)19/h5,7-8,10H,2-4,6H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid?
(2S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 51888697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).