3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one

C21H28ClN3O2 — CID 54739375

IUPAC3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
SMILESCCN1CCN([C@H](c2ccc(Cl)cc2)c2c(O)cc(C)n(CC)c2=O)CC1
InChIInChI=1S/C21H28ClN3O2/c1-4-23-10-12-24(13-11-23)20(16-6-8-17(22)9-7-16)19-18(26)14-15(3)25(5-2)21(19)27/h6-9,14,20,26H,4-5,10-13H2,1-3H3/t20-/m1/s1
InChIKeyQIHWZKKYKNGLEB-HXUWFJFHSA-N
MW389.93 g/mol
LogP3.26
Rot. Bonds5

About 3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one

3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54739375) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
PubChem CID54739375
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
SMILESCCN1CCN([C@H](c2ccc(Cl)cc2)c2c(O)cc(C)n(CC)c2=O)CC1
InChIInChI=1S/C21H28ClN3O2/c1-4-23-10-12-24(13-11-23)20(16-6-8-17(22)9-7-16)19-18(26)14-15(3)25(5-2)21(19)27/h6-9,14,20,26H,4-5,10-13H2,1-3H3/t20-/m1/s1
InChIKeyQIHWZKKYKNGLEB-HXUWFJFHSA-N
XLogP3.26
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one with MolForge

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Related Compounds

1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729065
ethyl 4-[(S)-(4-chlorophenyl)-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)methyl]piperazine-1-carboxylate
CID 54739380
3-[(S)-(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54739382
1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729071
1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 92766001
1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one
CID 93478801
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-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729093
3-[(R)-(3-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54739367
1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
CID 54720775
1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one
CID 54729067
1-ethyl-3-[[4-(4-fluorophenyl)piperazin-1-yl]-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729094

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one (CID 54739375) is 3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one is CCN1CCN([C@H](c2ccc(Cl)cc2)c2c(O)cc(C)n(CC)c2=O)CC1.
What is the InChIKey of 3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is QIHWZKKYKNGLEB-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H28ClN3O2/c1-4-23-10-12-24(13-11-23)20(16-6-8-17(22)9-7-16)19-18(26)14-15(3)25(5-2)21(19)27/h6-9,14,20,26H,4-5,10-13H2,1-3H3/t20-/m1/s1.
What are the key properties of 3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one?
3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 389.93 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54739375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).