6-piperidin-4-yloxy-2H-isoquinolin-1-one

C14H16N2O2 — CID 15604510

IUPAC6-piperidin-4-yloxy-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2cc(OC3CCNCC3)ccc12
InChIInChI=1S/C14H16N2O2/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11/h1-3,8-9,11,15H,4-7H2,(H,16,17)
InChIKeyIPEXHQGMTHOKQV-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.66
Rot. Bonds2

About 6-piperidin-4-yloxy-2H-isoquinolin-1-one

6-piperidin-4-yloxy-2H-isoquinolin-1-one (PubChem CID 15604510) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-piperidin-4-yloxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-piperidin-4-yloxy-2H-isoquinolin-1-one
PubChem CID15604510
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name6-piperidin-4-yloxy-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2cc(OC3CCNCC3)ccc12
InChIInChI=1S/C14H16N2O2/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11/h1-3,8-9,11,15H,4-7H2,(H,16,17)
InChIKeyIPEXHQGMTHOKQV-UHFFFAOYSA-N
XLogP1.66
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-4-yloxy-2H-isoquinolin-1-one?
The IUPAC name of 6-piperidin-4-yloxy-2H-isoquinolin-1-one (CID 15604510) is 6-piperidin-4-yloxy-2H-isoquinolin-1-one.
What is the SMILES notation for 6-piperidin-4-yloxy-2H-isoquinolin-1-one?
The canonical SMILES for 6-piperidin-4-yloxy-2H-isoquinolin-1-one is O=c1[nH]ccc2cc(OC3CCNCC3)ccc12.
What is the InChIKey of 6-piperidin-4-yloxy-2H-isoquinolin-1-one?
The InChIKey is IPEXHQGMTHOKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11/h1-3,8-9,11,15H,4-7H2,(H,16,17).
What are the key properties of 6-piperidin-4-yloxy-2H-isoquinolin-1-one?
6-piperidin-4-yloxy-2H-isoquinolin-1-one has a molecular weight of 244.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-4-yloxy-2H-isoquinolin-1-one is sourced from PubChem (CID 15604510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).