4-piperidin-1-ylchromen-2-one

C14H15NO2 — CID 686127

IUPAC4-piperidin-1-ylchromen-2-one
SMILESO=c1cc(N2CCCCC2)c2ccccc2o1
InChIInChI=1S/C14H15NO2/c16-14-10-12(15-8-4-1-5-9-15)11-6-2-3-7-13(11)17-14/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyAZAXRUNIGYYEKS-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.78
Rot. Bonds1

About 4-piperidin-1-ylchromen-2-one

4-piperidin-1-ylchromen-2-one (PubChem CID 686127) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-piperidin-1-ylchromen-2-one.

Molecular Properties

Compound Name4-piperidin-1-ylchromen-2-one
PubChem CID686127
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name4-piperidin-1-ylchromen-2-one
SMILESO=c1cc(N2CCCCC2)c2ccccc2o1
InChIInChI=1S/C14H15NO2/c16-14-10-12(15-8-4-1-5-9-15)11-6-2-3-7-13(11)17-14/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyAZAXRUNIGYYEKS-UHFFFAOYSA-N
XLogP2.78
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylchromen-2-one?
The IUPAC name of 4-piperidin-1-ylchromen-2-one (CID 686127) is 4-piperidin-1-ylchromen-2-one.
What is the SMILES notation for 4-piperidin-1-ylchromen-2-one?
The canonical SMILES for 4-piperidin-1-ylchromen-2-one is O=c1cc(N2CCCCC2)c2ccccc2o1.
What is the InChIKey of 4-piperidin-1-ylchromen-2-one?
The InChIKey is AZAXRUNIGYYEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-14-10-12(15-8-4-1-5-9-15)11-6-2-3-7-13(11)17-14/h2-3,6-7,10H,1,4-5,8-9H2.
What are the key properties of 4-piperidin-1-ylchromen-2-one?
4-piperidin-1-ylchromen-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylchromen-2-one is sourced from PubChem (CID 686127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).