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

C14H18N2O4 — CID 43171066

IUPAC1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCCCC2C(=O)O)c(=O)[nH]1
InChIInChI=1S/C14H18N2O4/c1-8-7-9(2)15-12(17)11(8)13(18)16-6-4-3-5-10(16)14(19)20/h7,10H,3-6H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyNTAXOLMMLCAAJQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.07
Rot. Bonds2

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

1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 43171066) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID43171066
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCCCC2C(=O)O)c(=O)[nH]1
InChIInChI=1S/C14H18N2O4/c1-8-7-9(2)15-12(17)11(8)13(18)16-6-4-3-5-10(16)14(19)20/h7,10H,3-6H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyNTAXOLMMLCAAJQ-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(1,4,6-Trimethyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72909157
4-[(2-Hydroxy-4,6-dimethyl-3-pyridinyl)carbonyl]-1-methyl-2-piperazinecarboxylic acid
CID 56705242
(2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4-methylhexanoic acid
CID 89503071
(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]-6-aminohexanoic acid
CID 141307771
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
(5Z,6Z)-1-(2-aminopropanoyl)-5-[(Z)-but-2-enylidene]-6-ethylidenepiperidine-2-carboxylic acid
CID 143961686
2-[[1-(Cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-4-methylhexanoic acid
CID 174508956
2-[(1-Butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylhexanoic acid
CID 174523181
1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 24695413
1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 24703292
1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 24704237

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid (CID 43171066) is 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid is Cc1cc(C)c(C(=O)N2CCCCC2C(=O)O)c(=O)[nH]1.
What is the InChIKey of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is NTAXOLMMLCAAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-7-9(2)15-12(17)11(8)13(18)16-6-4-3-5-10(16)14(19)20/h7,10H,3-6H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid?
1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43171066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).