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

C20H23N3O4 — CID 173365890

IUPAC4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one;hydrate
SMILESO.O=c1c(N2CCCCC2CO)c(O)c2cccnc2n1-c1ccccc1
InChIInChI=1S/C20H21N3O3.H2O/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;1H2
InChIKeyCEHJICHWFGHTJN-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.62
Rot. Bonds3

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

4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one;hydrate (PubChem CID 173365890) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one;hydrate.

Molecular Properties

Compound Name4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one;hydrate
PubChem CID173365890
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one;hydrate
SMILESO.O=c1c(N2CCCCC2CO)c(O)c2cccnc2n1-c1ccccc1
InChIInChI=1S/C20H21N3O3.H2O/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;1H2
InChIKeyCEHJICHWFGHTJN-UHFFFAOYSA-N
XLogP1.62
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.62
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;hydrate?
The IUPAC name of 4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one;hydrate (CID 173365890) is 4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one;hydrate.
What is the SMILES notation for 4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one;hydrate?
The canonical SMILES for 4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one;hydrate is O.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;hydrate?
The InChIKey is CEHJICHWFGHTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3.H2O/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;1H2.
What are the key properties of 4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one;hydrate?
4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one;hydrate has a molecular weight of 369.42 g/mol, XLogP of 1.62, 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;hydrate is sourced from PubChem (CID 173365890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).