4-hydroxy-1-phenyl-3-piperidin-1-ium-1-yl-1,8-naphthyridin-2-one hydroxide

C19H21N3O3 — CID 54706816

IUPAC4-hydroxy-1-phenyl-3-piperidin-1-ium-1-yl-1,8-naphthyridin-2-one hydroxide
SMILESO=c1c([NH+]2CCCCC2)c(O)c2cccnc2n1-c1ccccc1.[OH-]
InChIInChI=1S/C19H19N3O2.H2O/c23-17-15-10-7-11-20-18(15)22(14-8-3-1-4-9-14)19(24)16(17)21-12-5-2-6-13-21;/h1,3-4,7-11,23H,2,5-6,12-13H2;1H2
InChIKeyQREYHPWEHZKOHE-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.61
Rot. Bonds2

About 4-hydroxy-1-phenyl-3-piperidin-1-ium-1-yl-1,8-naphthyridin-2-one hydroxide

4-hydroxy-1-phenyl-3-piperidin-1-ium-1-yl-1,8-naphthyridin-2-one hydroxide (PubChem CID 54706816) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-hydroxy-1-phenyl-3-piperidin-1-ium-1-yl-1,8-naphthyridin-2-one hydroxide.

Molecular Properties

Compound Name4-hydroxy-1-phenyl-3-piperidin-1-ium-1-yl-1,8-naphthyridin-2-one hydroxide
PubChem CID54706816
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name4-hydroxy-1-phenyl-3-piperidin-1-ium-1-yl-1,8-naphthyridin-2-one hydroxide
SMILESO=c1c([NH+]2CCCCC2)c(O)c2cccnc2n1-c1ccccc1.[OH-]
InChIInChI=1S/C19H19N3O2.H2O/c23-17-15-10-7-11-20-18(15)22(14-8-3-1-4-9-14)19(24)16(17)21-12-5-2-6-13-21;/h1,3-4,7-11,23H,2,5-6,12-13H2;1H2
InChIKeyQREYHPWEHZKOHE-UHFFFAOYSA-N
XLogP1.61
TPSA89.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenyl-3-piperidin-1-ium-1-yl-1,8-naphthyridin-2-one hydroxide?
The IUPAC name of 4-hydroxy-1-phenyl-3-piperidin-1-ium-1-yl-1,8-naphthyridin-2-one hydroxide (CID 54706816) is 4-hydroxy-1-phenyl-3-piperidin-1-ium-1-yl-1,8-naphthyridin-2-one hydroxide.
What is the SMILES notation for 4-hydroxy-1-phenyl-3-piperidin-1-ium-1-yl-1,8-naphthyridin-2-one hydroxide?
The canonical SMILES for 4-hydroxy-1-phenyl-3-piperidin-1-ium-1-yl-1,8-naphthyridin-2-one hydroxide is O=c1c([NH+]2CCCCC2)c(O)c2cccnc2n1-c1ccccc1.[OH-].
What is the InChIKey of 4-hydroxy-1-phenyl-3-piperidin-1-ium-1-yl-1,8-naphthyridin-2-one hydroxide?
The InChIKey is QREYHPWEHZKOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2.H2O/c23-17-15-10-7-11-20-18(15)22(14-8-3-1-4-9-14)19(24)16(17)21-12-5-2-6-13-21;/h1,3-4,7-11,23H,2,5-6,12-13H2;1H2.
What are the key properties of 4-hydroxy-1-phenyl-3-piperidin-1-ium-1-yl-1,8-naphthyridin-2-one hydroxide?
4-hydroxy-1-phenyl-3-piperidin-1-ium-1-yl-1,8-naphthyridin-2-one hydroxide has a molecular weight of 339.39 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenyl-3-piperidin-1-ium-1-yl-1,8-naphthyridin-2-one hydroxide is sourced from PubChem (CID 54706816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).