7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,7-naphthyridin-8-one

C16H19N3O2 — CID 126837339

IUPAC7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,7-naphthyridin-8-one
SMILESCC1CCN(C(=O)Cn2ccc3cccnc3c2=O)CC1
InChIInChI=1S/C16H19N3O2/c1-12-4-8-18(9-5-12)14(20)11-19-10-6-13-3-2-7-17-15(13)16(19)21/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3
InChIKeyRHJXMEZMVYGBJZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.65
Rot. Bonds2

About 7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,7-naphthyridin-8-one

7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,7-naphthyridin-8-one (PubChem CID 126837339) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,7-naphthyridin-8-one
PubChem CID126837339
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,7-naphthyridin-8-one
SMILESCC1CCN(C(=O)Cn2ccc3cccnc3c2=O)CC1
InChIInChI=1S/C16H19N3O2/c1-12-4-8-18(9-5-12)14(20)11-19-10-6-13-3-2-7-17-15(13)16(19)21/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3
InChIKeyRHJXMEZMVYGBJZ-UHFFFAOYSA-N
XLogP1.65
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,7-naphthyridin-8-one?
The IUPAC name of 7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,7-naphthyridin-8-one (CID 126837339) is 7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,7-naphthyridin-8-one.
What is the SMILES notation for 7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,7-naphthyridin-8-one?
The canonical SMILES for 7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,7-naphthyridin-8-one is CC1CCN(C(=O)Cn2ccc3cccnc3c2=O)CC1.
What is the InChIKey of 7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,7-naphthyridin-8-one?
The InChIKey is RHJXMEZMVYGBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-4-8-18(9-5-12)14(20)11-19-10-6-13-3-2-7-17-15(13)16(19)21/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3.
What are the key properties of 7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,7-naphthyridin-8-one?
7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,7-naphthyridin-8-one has a molecular weight of 285.35 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,7-naphthyridin-8-one is sourced from PubChem (CID 126837339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).