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

C24H27N3O2 — CID 10430428

IUPAC1-benzyl-4-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one
SMILESO=c1c(O)c(CN2CCN(Cc3ccccc3)CC2)ccn1Cc1ccccc1
InChIInChI=1S/C24H27N3O2/c28-23-22(11-12-27(24(23)29)18-21-9-5-2-6-10-21)19-26-15-13-25(14-16-26)17-20-7-3-1-4-8-20/h1-12,28H,13-19H2
InChIKeyYIROCWNERWBGFO-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.92
Rot. Bonds6

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

1-benzyl-4-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one (PubChem CID 10430428) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-benzyl-4-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one
PubChem CID10430428
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1-benzyl-4-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one
SMILESO=c1c(O)c(CN2CCN(Cc3ccccc3)CC2)ccn1Cc1ccccc1
InChIInChI=1S/C24H27N3O2/c28-23-22(11-12-27(24(23)29)18-21-9-5-2-6-10-21)19-26-15-13-25(14-16-26)17-20-7-3-1-4-8-20/h1-12,28H,13-19H2
InChIKeyYIROCWNERWBGFO-UHFFFAOYSA-N
XLogP2.92
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-1-methyl-2-oxo-N-[(3-phenylphenyl)methyl]pyridine-4-carboxamide
CID 90343428
6-Hydroxy-1-(2-phenylethyl)-4-(phenylmethyl)-2-piperazinone
CID 21599360
1-Benzyl-3-hydroxy-4-[(1-phenylethylamino)methyl]pyridin-2-one
CID 9997015
1-Benzyl-3-hydroxy-4-[[(4-methylcyclohexyl)amino]methyl]pyridin-2-one
CID 10042063
N-benzyl-3-hydroxypyridin-2-one
CID 22339931
3-Hydroxy-1-[(4-phenylphenyl)methyl]pyridin-2-one
CID 71142059
3-Hydroxy-1-[[4-(3-methylphenyl)phenyl]methyl]pyridin-2-one
CID 71142062
3-Hydroxy-1-[[4-(4-methylphenyl)phenyl]methyl]pyridin-2-one
CID 71142099
4-[4-[(3-Hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzonitrile
CID 71142113
3-Hydroxy-1-[[4-(2-methylphenyl)phenyl]methyl]pyridin-2-one
CID 71142129
Hypidone (hydrochloride)
CID 122412736
3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)-9aH-pyrido[1,2-a]pyrimidin-2-one
CID 137636868

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one?
The IUPAC name of 1-benzyl-4-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one (CID 10430428) is 1-benzyl-4-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one.
What is the SMILES notation for 1-benzyl-4-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one?
The canonical SMILES for 1-benzyl-4-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one is O=c1c(O)c(CN2CCN(Cc3ccccc3)CC2)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one?
The InChIKey is YIROCWNERWBGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-23-22(11-12-27(24(23)29)18-21-9-5-2-6-10-21)19-26-15-13-25(14-16-26)17-20-7-3-1-4-8-20/h1-12,28H,13-19H2.
What are the key properties of 1-benzyl-4-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one?
1-benzyl-4-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one has a molecular weight of 389.50 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one is sourced from PubChem (CID 10430428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).