2-(2-oxochromen-7-yl)piperidine-4-carboxylic acid

C15H15NO4 — CID 175895947

IUPAC2-(2-oxochromen-7-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCNC(c2ccc3ccc(=O)oc3c2)C1
InChIInChI=1S/C15H15NO4/c17-14-4-3-9-1-2-10(8-13(9)20-14)12-7-11(15(18)19)5-6-16-12/h1-4,8,11-12,16H,5-7H2,(H,18,19)
InChIKeyCEBGFMJNOWCXBT-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.92
Rot. Bonds2

About 2-(2-oxochromen-7-yl)piperidine-4-carboxylic acid

2-(2-oxochromen-7-yl)piperidine-4-carboxylic acid (PubChem CID 175895947) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(2-oxochromen-7-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-oxochromen-7-yl)piperidine-4-carboxylic acid
PubChem CID175895947
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-(2-oxochromen-7-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCNC(c2ccc3ccc(=O)oc3c2)C1
InChIInChI=1S/C15H15NO4/c17-14-4-3-9-1-2-10(8-13(9)20-14)12-7-11(15(18)19)5-6-16-12/h1-4,8,11-12,16H,5-7H2,(H,18,19)
InChIKeyCEBGFMJNOWCXBT-UHFFFAOYSA-N
XLogP1.92
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6-[(2R)-pyrrolidin-2-yl]chromen-2-one
CID 66518839
7-piperidin-4-ylchromen-2-one
CID 158709032
2-(3,4,5-trifluorophenyl)piperidine-4-carboxylic acid;hydrochloride
CID 140555388
2-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid;hydrochloride
CID 66731710
5-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117367740
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid;hydrochloride
CID 140555412
5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117409839
2-(2-chlorophenyl)piperidine-4-carboxylic acid
CID 82388189
5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid
CID 117332582
5-isoquinolin-7-ylpyrrolidine-3-carboxylic acid
CID 117357640
2-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidine-4-carboxylic acid
CID 82384027
5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
CID 117439869

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxochromen-7-yl)piperidine-4-carboxylic acid?
The IUPAC name of 2-(2-oxochromen-7-yl)piperidine-4-carboxylic acid (CID 175895947) is 2-(2-oxochromen-7-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-oxochromen-7-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-(2-oxochromen-7-yl)piperidine-4-carboxylic acid is O=C(O)C1CCNC(c2ccc3ccc(=O)oc3c2)C1.
What is the InChIKey of 2-(2-oxochromen-7-yl)piperidine-4-carboxylic acid?
The InChIKey is CEBGFMJNOWCXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-14-4-3-9-1-2-10(8-13(9)20-14)12-7-11(15(18)19)5-6-16-12/h1-4,8,11-12,16H,5-7H2,(H,18,19).
What are the key properties of 2-(2-oxochromen-7-yl)piperidine-4-carboxylic acid?
2-(2-oxochromen-7-yl)piperidine-4-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-7-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 175895947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).