7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one

C14H17N3O — CID 22931147

IUPAC7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one
SMILESCN1CCC(c2cc3ncccc3c(=O)[nH]2)CC1
InChIInChI=1S/C14H17N3O/c1-17-7-4-10(5-8-17)12-9-13-11(14(18)16-12)3-2-6-15-13/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,16,18)
InChIKeyXJDKRGHZVMVBMZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.73
Rot. Bonds1

About 7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one

7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one (PubChem CID 22931147) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one
PubChem CID22931147
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one
SMILESCN1CCC(c2cc3ncccc3c(=O)[nH]2)CC1
InChIInChI=1S/C14H17N3O/c1-17-7-4-10(5-8-17)12-9-13-11(14(18)16-12)3-2-6-15-13/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,16,18)
InChIKeyXJDKRGHZVMVBMZ-UHFFFAOYSA-N
XLogP1.73
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one?
The IUPAC name of 7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one (CID 22931147) is 7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one is CN1CCC(c2cc3ncccc3c(=O)[nH]2)CC1.
What is the InChIKey of 7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one?
The InChIKey is XJDKRGHZVMVBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-7-4-10(5-8-17)12-9-13-11(14(18)16-12)3-2-6-15-13/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,16,18).
What are the key properties of 7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one?
7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one has a molecular weight of 243.31 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 22931147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).