1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one

C27H33N3O3 — CID 92766001

IUPAC1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCCN1CCN([C@@H](c2ccc(OC)cc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C27H33N3O3/c1-4-28-14-16-29(17-15-28)26(22-10-12-23(33-3)13-11-22)25-24(31)18-20(2)30(27(25)32)19-21-8-6-5-7-9-21/h5-13,18,26,31H,4,14-17,19H2,1-3H3/t26-/m0/s1
InChIKeyXOQHRTVLLQBCGX-SANMLTNESA-N
MW447.58 g/mol
LogP3.65
Rot. Bonds7

About 1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one

1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 92766001) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID92766001
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCCN1CCN([C@@H](c2ccc(OC)cc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C27H33N3O3/c1-4-28-14-16-29(17-15-28)26(22-10-12-23(33-3)13-11-22)25-24(31)18-20(2)30(27(25)32)19-21-8-6-5-7-9-21/h5-13,18,26,31H,4,14-17,19H2,1-3H3/t26-/m0/s1
InChIKeyXOQHRTVLLQBCGX-SANMLTNESA-N
XLogP3.65
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(S)-(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]pyridin-2-one
CID 92766029
3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54739375
1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729065
1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one
CID 54729077
1-benzyl-3-[(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54728993
3-[(S)-(3-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-4-hydroxy-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 92774215
1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729071
1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 92766008
3-[(3,4-dimethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54729045
3-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54739499
1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine
CID 7396387
1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one
CID 54729067

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one (CID 92766001) is 1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one is CCN1CCN([C@@H](c2ccc(OC)cc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1.
What is the InChIKey of 1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is XOQHRTVLLQBCGX-SANMLTNESA-N. The full InChI is InChI=1S/C27H33N3O3/c1-4-28-14-16-29(17-15-28)26(22-10-12-23(33-3)13-11-22)25-24(31)18-20(2)30(27(25)32)19-21-8-6-5-7-9-21/h5-13,18,26,31H,4,14-17,19H2,1-3H3/t26-/m0/s1.
What are the key properties of 1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 447.58 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 92766001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).