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

C21H29N3O3 — CID 54739341

IUPAC1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one
SMILESCCn1c(C)cc(O)c([C@@H](c2ccccc2OC)N2CCN(C)CC2)c1=O
InChIInChI=1S/C21H29N3O3/c1-5-24-15(2)14-17(25)19(21(24)26)20(23-12-10-22(3)11-13-23)16-8-6-7-9-18(16)27-4/h6-9,14,20,25H,5,10-13H2,1-4H3/t20-/m1/s1
InChIKeySCBSMYWHCDRROE-HXUWFJFHSA-N
MW371.48 g/mol
LogP2.23
Rot. Bonds5

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

1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one (PubChem CID 54739341) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one
PubChem CID54739341
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one
SMILESCCn1c(C)cc(O)c([C@@H](c2ccccc2OC)N2CCN(C)CC2)c1=O
InChIInChI=1S/C21H29N3O3/c1-5-24-15(2)14-17(25)19(21(24)26)20(23-12-10-22(3)11-13-23)16-8-6-7-9-18(16)27-4/h6-9,14,20,25H,5,10-13H2,1-4H3/t20-/m1/s1
InChIKeySCBSMYWHCDRROE-HXUWFJFHSA-N
XLogP2.23
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-6-methylpyridin-2-one
CID 92762512
1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54739349
1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54692533
3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 92787308
3-[(3,4-dimethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54729045
1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54677368
3-[(S)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 93478795
3-[(3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54692561
3-[(R)-(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54739575
1-ethyl-4-hydroxy-3-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]-6-methylpyridin-2-one
CID 54692593
4-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(S)-(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]pyridin-2-one
CID 92766029
3-[(R)-(3,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
CID 54739812

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one?
The IUPAC name of 1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one (CID 54739341) is 1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one is CCn1c(C)cc(O)c([C@@H](c2ccccc2OC)N2CCN(C)CC2)c1=O.
What is the InChIKey of 1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one?
The InChIKey is SCBSMYWHCDRROE-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-5-24-15(2)14-17(25)19(21(24)26)20(23-12-10-22(3)11-13-23)16-8-6-7-9-18(16)27-4/h6-9,14,20,25H,5,10-13H2,1-4H3/t20-/m1/s1.
What are the key properties of 1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one?
1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one has a molecular weight of 371.48 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one is sourced from PubChem (CID 54739341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).