1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid

C16H15NO5 — CID 119137743

IUPAC1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C16H15NO5/c18-12-9-14(22-13-7-2-1-5-10(12)13)15(19)17-8-4-3-6-11(17)16(20)21/h1-2,5,7,9,11H,3-4,6,8H2,(H,20,21)
InChIKeyWRDIHNIDJUNKGL-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.87
Rot. Bonds2

About 1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid

1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 119137743) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID119137743
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C16H15NO5/c18-12-9-14(22-13-7-2-1-5-10(12)13)15(19)17-8-4-3-6-11(17)16(20)21/h1-2,5,7,9,11H,3-4,6,8H2,(H,20,21)
InChIKeyWRDIHNIDJUNKGL-UHFFFAOYSA-N
XLogP1.87
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid (CID 119137743) is 1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is WRDIHNIDJUNKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c18-12-9-14(22-13-7-2-1-5-10(12)13)15(19)17-8-4-3-6-11(17)16(20)21/h1-2,5,7,9,11H,3-4,6,8H2,(H,20,21).
What are the key properties of 1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid?
1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 119137743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).