4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one

C26H31N3O3 — CID 54703744

IUPAC4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one
SMILESCOCCn1c(C)cc(O)c(C(c2ccccc2)N2CCN(c3ccccc3)CC2)c1=O
InChIInChI=1S/C26H31N3O3/c1-20-19-23(30)24(26(31)29(20)17-18-32-2)25(21-9-5-3-6-10-21)28-15-13-27(14-16-28)22-11-7-4-8-12-22/h3-12,19,25,30H,13-18H2,1-2H3
InChIKeyYXCZYODVBURRKS-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.42
Rot. Bonds7

About 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one

4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one (PubChem CID 54703744) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one
PubChem CID54703744
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one
SMILESCOCCn1c(C)cc(O)c(C(c2ccccc2)N2CCN(c3ccccc3)CC2)c1=O
InChIInChI=1S/C26H31N3O3/c1-20-19-23(30)24(26(31)29(20)17-18-32-2)25(21-9-5-3-6-10-21)28-15-13-27(14-16-28)22-11-7-4-8-12-22/h3-12,19,25,30H,13-18H2,1-2H3
InChIKeyYXCZYODVBURRKS-UHFFFAOYSA-N
XLogP3.42
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one?
The IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one (CID 54703744) is 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one?
The canonical SMILES for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one is COCCn1c(C)cc(O)c(C(c2ccccc2)N2CCN(c3ccccc3)CC2)c1=O.
What is the InChIKey of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one?
The InChIKey is YXCZYODVBURRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-20-19-23(30)24(26(31)29(20)17-18-32-2)25(21-9-5-3-6-10-21)28-15-13-27(14-16-28)22-11-7-4-8-12-22/h3-12,19,25,30H,13-18H2,1-2H3.
What are the key properties of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one?
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one has a molecular weight of 433.55 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[phenyl-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one is sourced from PubChem (CID 54703744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).