1-[(3-chlorophenyl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one

C19H24ClN3O2 — CID 67193433

IUPAC1-[(3-chlorophenyl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one
SMILESCCN1CCN(Cc2ccn(Cc3cccc(Cl)c3)c(=O)c2O)CC1
InChIInChI=1S/C19H24ClN3O2/c1-2-21-8-10-22(11-9-21)14-16-6-7-23(19(25)18(16)24)13-15-4-3-5-17(20)12-15/h3-7,12,24H,2,8-11,13-14H2,1H3
InChIKeyLJEQUBHMWTVWGF-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.39
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one

1-[(3-chlorophenyl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one (PubChem CID 67193433) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one
PubChem CID67193433
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name1-[(3-chlorophenyl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one
SMILESCCN1CCN(Cc2ccn(Cc3cccc(Cl)c3)c(=O)c2O)CC1
InChIInChI=1S/C19H24ClN3O2/c1-2-21-8-10-22(11-9-21)14-16-6-7-23(19(25)18(16)24)13-15-4-3-5-17(20)12-15/h3-7,12,24H,2,8-11,13-14H2,1H3
InChIKeyLJEQUBHMWTVWGF-UHFFFAOYSA-N
XLogP2.39
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3-chlorophenyl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-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-[[1-[(3-bromophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylic acid
CID 118306860
methyl 4-[[3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 118306861
1-benzyl-3-hydroxy-4-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]pyridin-2-one
CID 58252605
1-(4-chlorophenyl)sulfonyl-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one
CID 67193898
2-[(3-chlorophenyl)methyl]-7-(2,2-dimethylpropyl)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
CID 54683597
ethyl 4-[[1-[(2,6-dibromophenyl)methyl]-3-hydroxy-2-oxo-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 118306915
1-[(3-chlorophenyl)methyl]-4-methylpiperazine;oxalic acid
CID 45156065
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843
3-hydroxy-1-(2-phenylethyl)-4-(thiomorpholin-4-ylmethyl)pyridin-2-one
CID 163673337
1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperazine;oxalic acid
CID 2874542
N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 110301174
N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 8900692

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one (CID 67193433) is 1-[(3-chlorophenyl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one is CCN1CCN(Cc2ccn(Cc3cccc(Cl)c3)c(=O)c2O)CC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one?
The InChIKey is LJEQUBHMWTVWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-2-21-8-10-22(11-9-21)14-16-6-7-23(19(25)18(16)24)13-15-4-3-5-17(20)12-15/h3-7,12,24H,2,8-11,13-14H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one?
1-[(3-chlorophenyl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one has a molecular weight of 361.87 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one is sourced from PubChem (CID 67193433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).