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

C22H31N3O2 — CID 54729065

IUPAC1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCCN1CCN(C(c2ccc(C)cc2)c2c(O)cc(C)n(CC)c2=O)CC1
InChIInChI=1S/C22H31N3O2/c1-5-23-11-13-24(14-12-23)21(18-9-7-16(3)8-10-18)20-19(26)15-17(4)25(6-2)22(20)27/h7-10,15,21,26H,5-6,11-14H2,1-4H3
InChIKeyMXFCTLGNNVXECD-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.92
Rot. Bonds5

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

1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54729065) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID54729065
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCCN1CCN(C(c2ccc(C)cc2)c2c(O)cc(C)n(CC)c2=O)CC1
InChIInChI=1S/C22H31N3O2/c1-5-23-11-13-24(14-12-23)21(18-9-7-16(3)8-10-18)20-19(26)15-17(4)25(6-2)22(20)27/h7-10,15,21,26H,5-6,11-14H2,1-4H3
InChIKeyMXFCTLGNNVXECD-UHFFFAOYSA-N
XLogP2.92
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54739375
1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one
CID 93478801
1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729071
1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
CID 54720775
1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 92766001
ethyl 4-[(S)-(4-chlorophenyl)-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)methyl]piperazine-1-carboxylate
CID 54739380
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
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
1-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729093
3-[(S)-(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54739382

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one (CID 54729065) is 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one is CCN1CCN(C(c2ccc(C)cc2)c2c(O)cc(C)n(CC)c2=O)CC1.
What is the InChIKey of 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is MXFCTLGNNVXECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-5-23-11-13-24(14-12-23)21(18-9-7-16(3)8-10-18)20-19(26)15-17(4)25(6-2)22(20)27/h7-10,15,21,26H,5-6,11-14H2,1-4H3.
What are the key properties of 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 369.51 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54729065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).