2-oxo-5-[4-(piperidine-1-carbonyl)phenyl]-1H-pyridine-4-carboxylic acid

C18H18N2O4 — CID 53224626

IUPAC2-oxo-5-[4-(piperidine-1-carbonyl)phenyl]-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]cc1-c1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H18N2O4/c21-16-10-14(18(23)24)15(11-19-16)12-4-6-13(7-5-12)17(22)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H,19,21)(H,23,24)
InChIKeyJHKQOQNNKRKZFS-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.37
Rot. Bonds3

About 2-oxo-5-[4-(piperidine-1-carbonyl)phenyl]-1H-pyridine-4-carboxylic acid

2-oxo-5-[4-(piperidine-1-carbonyl)phenyl]-1H-pyridine-4-carboxylic acid (PubChem CID 53224626) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-oxo-5-[4-(piperidine-1-carbonyl)phenyl]-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-5-[4-(piperidine-1-carbonyl)phenyl]-1H-pyridine-4-carboxylic acid
PubChem CID53224626
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-oxo-5-[4-(piperidine-1-carbonyl)phenyl]-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]cc1-c1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H18N2O4/c21-16-10-14(18(23)24)15(11-19-16)12-4-6-13(7-5-12)17(22)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H,19,21)(H,23,24)
InChIKeyJHKQOQNNKRKZFS-UHFFFAOYSA-N
XLogP2.37
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 175705601
2-oxo-5-phenyl-1H-pyridine-4-carboxylic acid
CID 46314981
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
2-chloro-5-[4-(piperidine-1-carbonyl)phenyl]benzoic acid
CID 53228855
2-chloro-4-[4-(piperidine-1-carbonyl)phenyl]benzoic acid
CID 53228856
3-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 110683750
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
9-[4-(morpholine-4-carbonyl)phenyl]-3-oxo-2H-benzo[h]isoquinoline-6-carboxylic acid
CID 87766066
pyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone
CID 58087868
methyl 2-[4-(azepane-1-carbonyl)phenyl]-5-methoxybenzoate
CID 118772454
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
4-(azocane-1-carbonyl)benzenecarbothioamide
CID 28801480

Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-[4-(piperidine-1-carbonyl)phenyl]-1H-pyridine-4-carboxylic acid?
The IUPAC name of 2-oxo-5-[4-(piperidine-1-carbonyl)phenyl]-1H-pyridine-4-carboxylic acid (CID 53224626) is 2-oxo-5-[4-(piperidine-1-carbonyl)phenyl]-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-5-[4-(piperidine-1-carbonyl)phenyl]-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-oxo-5-[4-(piperidine-1-carbonyl)phenyl]-1H-pyridine-4-carboxylic acid is O=C(O)c1cc(=O)[nH]cc1-c1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-oxo-5-[4-(piperidine-1-carbonyl)phenyl]-1H-pyridine-4-carboxylic acid?
The InChIKey is JHKQOQNNKRKZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-16-10-14(18(23)24)15(11-19-16)12-4-6-13(7-5-12)17(22)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H,19,21)(H,23,24).
What are the key properties of 2-oxo-5-[4-(piperidine-1-carbonyl)phenyl]-1H-pyridine-4-carboxylic acid?
2-oxo-5-[4-(piperidine-1-carbonyl)phenyl]-1H-pyridine-4-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-[4-(piperidine-1-carbonyl)phenyl]-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 53224626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).