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

C26H31N3O3 — CID 92762512

IUPAC1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-6-methylpyridin-2-one
SMILESCCn1c(C)cc(O)c([C@@H](c2ccccc2OC)N2CCN(c3ccccc3)CC2)c1=O
InChIInChI=1S/C26H31N3O3/c1-4-29-19(2)18-22(30)24(26(29)31)25(21-12-8-9-13-23(21)32-3)28-16-14-27(15-17-28)20-10-6-5-7-11-20/h5-13,18,25,30H,4,14-17H2,1-3H3/t25-/m1/s1
InChIKeyFNHWNWUAVPNEIR-RUZDIDTESA-N
MW433.55 g/mol
LogP3.80
Rot. Bonds6

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

1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-6-methylpyridin-2-one (PubChem CID 92762512) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-6-methylpyridin-2-one
PubChem CID92762512
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-6-methylpyridin-2-one
SMILESCCn1c(C)cc(O)c([C@@H](c2ccccc2OC)N2CCN(c3ccccc3)CC2)c1=O
InChIInChI=1S/C26H31N3O3/c1-4-29-19(2)18-22(30)24(26(29)31)25(21-12-8-9-13-23(21)32-3)28-16-14-27(15-17-28)20-10-6-5-7-11-20/h5-13,18,25,30H,4,14-17H2,1-3H3/t25-/m1/s1
InChIKeyFNHWNWUAVPNEIR-RUZDIDTESA-N
XLogP3.80
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54739349
1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one
CID 54739341
3-[(3,4-dimethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54729045
1-ethyl-3-[[4-(4-fluorophenyl)piperazin-1-yl]-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729094
3-[(3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54692561
3-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54703761
1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one
CID 54729067
1-ethyl-3-[(S)-(3-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54739400
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
1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one
CID 54729077
1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 92787321

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-6-methylpyridin-2-one?
The IUPAC name of 1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-6-methylpyridin-2-one (CID 92762512) is 1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-6-methylpyridin-2-one is CCn1c(C)cc(O)c([C@@H](c2ccccc2OC)N2CCN(c3ccccc3)CC2)c1=O.
What is the InChIKey of 1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-6-methylpyridin-2-one?
The InChIKey is FNHWNWUAVPNEIR-RUZDIDTESA-N. The full InChI is InChI=1S/C26H31N3O3/c1-4-29-19(2)18-22(30)24(26(29)31)25(21-12-8-9-13-23(21)32-3)28-16-14-27(15-17-28)20-10-6-5-7-11-20/h5-13,18,25,30H,4,14-17H2,1-3H3/t25-/m1/s1.
What are the key properties of 1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-6-methylpyridin-2-one?
1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-6-methylpyridin-2-one has a molecular weight of 433.55 g/mol, XLogP of 3.80, 6 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-phenylpiperazin-1-yl)methyl]-6-methylpyridin-2-one is sourced from PubChem (CID 92762512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).