2-piperidin-1-ylbenzo[h]chromen-4-one

C18H17NO2 — CID 3045697

IUPAC2-piperidin-1-ylbenzo[h]chromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c1ccc1ccccc12
InChIInChI=1S/C18H17NO2/c20-16-12-17(19-10-4-1-5-11-19)21-18-14-7-3-2-6-13(14)8-9-15(16)18/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyMAIHLQWUOLIOEP-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.94
Rot. Bonds1

About 2-piperidin-1-ylbenzo[h]chromen-4-one

2-piperidin-1-ylbenzo[h]chromen-4-one (PubChem CID 3045697) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-piperidin-1-ylbenzo[h]chromen-4-one.

Molecular Properties

Compound Name2-piperidin-1-ylbenzo[h]chromen-4-one
PubChem CID3045697
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-piperidin-1-ylbenzo[h]chromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c1ccc1ccccc12
InChIInChI=1S/C18H17NO2/c20-16-12-17(19-10-4-1-5-11-19)21-18-14-7-3-2-6-13(14)8-9-15(16)18/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyMAIHLQWUOLIOEP-UHFFFAOYSA-N
XLogP3.94
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylbenzo[h]chromen-4-one?
The IUPAC name of 2-piperidin-1-ylbenzo[h]chromen-4-one (CID 3045697) is 2-piperidin-1-ylbenzo[h]chromen-4-one.
What is the SMILES notation for 2-piperidin-1-ylbenzo[h]chromen-4-one?
The canonical SMILES for 2-piperidin-1-ylbenzo[h]chromen-4-one is O=c1cc(N2CCCCC2)oc2c1ccc1ccccc12.
What is the InChIKey of 2-piperidin-1-ylbenzo[h]chromen-4-one?
The InChIKey is MAIHLQWUOLIOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-16-12-17(19-10-4-1-5-11-19)21-18-14-7-3-2-6-13(14)8-9-15(16)18/h2-3,6-9,12H,1,4-5,10-11H2.
What are the key properties of 2-piperidin-1-ylbenzo[h]chromen-4-one?
2-piperidin-1-ylbenzo[h]chromen-4-one has a molecular weight of 279.34 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylbenzo[h]chromen-4-one is sourced from PubChem (CID 3045697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).