1-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one

C25H28N2O2 — CID 10091681

IUPAC1-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one
SMILESO=c1c(O)c(CN2CCC(Cc3ccccc3)CC2)ccn1Cc1ccccc1
InChIInChI=1S/C25H28N2O2/c28-24-23(13-16-27(25(24)29)18-22-9-5-2-6-10-22)19-26-14-11-21(12-15-26)17-20-7-3-1-4-8-20/h1-10,13,16,21,28H,11-12,14-15,17-19H2
InChIKeyZDQJMPFIQPNHDO-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.06
Rot. Bonds6

About 1-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one

1-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one (PubChem CID 10091681) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one
PubChem CID10091681
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name1-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one
SMILESO=c1c(O)c(CN2CCC(Cc3ccccc3)CC2)ccn1Cc1ccccc1
InChIInChI=1S/C25H28N2O2/c28-24-23(13-16-27(25(24)29)18-22-9-5-2-6-10-22)19-26-14-11-21(12-15-26)17-20-7-3-1-4-8-20/h1-10,13,16,21,28H,11-12,14-15,17-19H2
InChIKeyZDQJMPFIQPNHDO-UHFFFAOYSA-N
XLogP4.06
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one?
The IUPAC name of 1-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one (CID 10091681) is 1-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one.
What is the SMILES notation for 1-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one?
The canonical SMILES for 1-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one is O=c1c(O)c(CN2CCC(Cc3ccccc3)CC2)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one?
The InChIKey is ZDQJMPFIQPNHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c28-24-23(13-16-27(25(24)29)18-22-9-5-2-6-10-22)19-26-14-11-21(12-15-26)17-20-7-3-1-4-8-20/h1-10,13,16,21,28H,11-12,14-15,17-19H2.
What are the key properties of 1-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one?
1-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one has a molecular weight of 388.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one is sourced from PubChem (CID 10091681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).