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

C24H32N2O2 — CID 58252398

IUPAC1-benzyl-4-[(4-cyclohexylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one
SMILESO=c1c(O)c(CN2CCC(C3CCCCC3)CC2)ccn1Cc1ccccc1
InChIInChI=1S/C24H32N2O2/c27-23-22(13-16-26(24(23)28)17-19-7-3-1-4-8-19)18-25-14-11-21(12-15-25)20-9-5-2-6-10-20/h1,3-4,7-8,13,16,20-21,27H,2,5-6,9-12,14-15,17-18H2
InChIKeyZQZGOGJHYKJQPM-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.39
Rot. Bonds5

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

1-benzyl-4-[(4-cyclohexylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one (PubChem CID 58252398) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-benzyl-4-[(4-cyclohexylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[(4-cyclohexylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one
PubChem CID58252398
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name1-benzyl-4-[(4-cyclohexylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one
SMILESO=c1c(O)c(CN2CCC(C3CCCCC3)CC2)ccn1Cc1ccccc1
InChIInChI=1S/C24H32N2O2/c27-23-22(13-16-26(24(23)28)17-19-7-3-1-4-8-19)18-25-14-11-21(12-15-25)20-9-5-2-6-10-20/h1,3-4,7-8,13,16,20-21,27H,2,5-6,9-12,14-15,17-18H2
InChIKeyZQZGOGJHYKJQPM-UHFFFAOYSA-N
XLogP4.39
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.39
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-cyclohexylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one?
The IUPAC name of 1-benzyl-4-[(4-cyclohexylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one (CID 58252398) is 1-benzyl-4-[(4-cyclohexylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one.
What is the SMILES notation for 1-benzyl-4-[(4-cyclohexylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one?
The canonical SMILES for 1-benzyl-4-[(4-cyclohexylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one is O=c1c(O)c(CN2CCC(C3CCCCC3)CC2)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-[(4-cyclohexylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one?
The InChIKey is ZQZGOGJHYKJQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c27-23-22(13-16-26(24(23)28)17-19-7-3-1-4-8-19)18-25-14-11-21(12-15-25)20-9-5-2-6-10-20/h1,3-4,7-8,13,16,20-21,27H,2,5-6,9-12,14-15,17-18H2.
What are the key properties of 1-benzyl-4-[(4-cyclohexylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one?
1-benzyl-4-[(4-cyclohexylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one has a molecular weight of 380.53 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(4-cyclohexylpiperidin-1-yl)methyl]-3-hydroxypyridin-2-one is sourced from PubChem (CID 58252398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).