4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one

C20H21N3O3 — CID 54706815

IUPAC4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one
SMILESO=c1c(N2CCCCC2CO)c(O)c2cccnc2n1-c1ccccc1
InChIInChI=1S/C20H21N3O3/c24-13-15-9-4-5-12-22(15)17-18(25)16-10-6-11-21-19(16)23(20(17)26)14-7-2-1-3-8-14/h1-3,6-8,10-11,15,24-25H,4-5,9,12-13H2
InChIKeyNZJMRWFTYPLLNG-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.44
Rot. Bonds3

About 4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one

4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one (PubChem CID 54706815) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one
PubChem CID54706815
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one
SMILESO=c1c(N2CCCCC2CO)c(O)c2cccnc2n1-c1ccccc1
InChIInChI=1S/C20H21N3O3/c24-13-15-9-4-5-12-22(15)17-18(25)16-10-6-11-21-19(16)23(20(17)26)14-7-2-1-3-8-14/h1-3,6-8,10-11,15,24-25H,4-5,9,12-13H2
InChIKeyNZJMRWFTYPLLNG-UHFFFAOYSA-N
XLogP2.44
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one?
The IUPAC name of 4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one (CID 54706815) is 4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one is O=c1c(N2CCCCC2CO)c(O)c2cccnc2n1-c1ccccc1.
What is the InChIKey of 4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one?
The InChIKey is NZJMRWFTYPLLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-13-15-9-4-5-12-22(15)17-18(25)16-10-6-11-21-19(16)23(20(17)26)14-7-2-1-3-8-14/h1-3,6-8,10-11,15,24-25H,4-5,9,12-13H2.
What are the key properties of 4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one?
4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one has a molecular weight of 351.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 54706815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).