5,7-dimethyl-1-(2-piperidin-1-ylethyl)-1,8-naphthyridin-2-one

C17H23N3O — CID 90654323

IUPAC5,7-dimethyl-1-(2-piperidin-1-ylethyl)-1,8-naphthyridin-2-one
SMILESCc1cc(C)c2ccc(=O)n(CCN3CCCCC3)c2n1
InChIInChI=1S/C17H23N3O/c1-13-12-14(2)18-17-15(13)6-7-16(21)20(17)11-10-19-8-4-3-5-9-19/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyYNXNCHLLOSIYSR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.50
Rot. Bonds3

About 5,7-dimethyl-1-(2-piperidin-1-ylethyl)-1,8-naphthyridin-2-one

5,7-dimethyl-1-(2-piperidin-1-ylethyl)-1,8-naphthyridin-2-one (PubChem CID 90654323) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5,7-dimethyl-1-(2-piperidin-1-ylethyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5,7-dimethyl-1-(2-piperidin-1-ylethyl)-1,8-naphthyridin-2-one
PubChem CID90654323
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5,7-dimethyl-1-(2-piperidin-1-ylethyl)-1,8-naphthyridin-2-one
SMILESCc1cc(C)c2ccc(=O)n(CCN3CCCCC3)c2n1
InChIInChI=1S/C17H23N3O/c1-13-12-14(2)18-17-15(13)6-7-16(21)20(17)11-10-19-8-4-3-5-9-19/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyYNXNCHLLOSIYSR-UHFFFAOYSA-N
XLogP2.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1-(2-piperidin-1-ylethyl)-1,8-naphthyridin-2-one?
The IUPAC name of 5,7-dimethyl-1-(2-piperidin-1-ylethyl)-1,8-naphthyridin-2-one (CID 90654323) is 5,7-dimethyl-1-(2-piperidin-1-ylethyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 5,7-dimethyl-1-(2-piperidin-1-ylethyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 5,7-dimethyl-1-(2-piperidin-1-ylethyl)-1,8-naphthyridin-2-one is Cc1cc(C)c2ccc(=O)n(CCN3CCCCC3)c2n1.
What is the InChIKey of 5,7-dimethyl-1-(2-piperidin-1-ylethyl)-1,8-naphthyridin-2-one?
The InChIKey is YNXNCHLLOSIYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-12-14(2)18-17-15(13)6-7-16(21)20(17)11-10-19-8-4-3-5-9-19/h6-7,12H,3-5,8-11H2,1-2H3.
What are the key properties of 5,7-dimethyl-1-(2-piperidin-1-ylethyl)-1,8-naphthyridin-2-one?
5,7-dimethyl-1-(2-piperidin-1-ylethyl)-1,8-naphthyridin-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1-(2-piperidin-1-ylethyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 90654323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).