3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one

C22H31N3O3 — CID 54703743

IUPAC3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
SMILESCCN1CCN(C(c2ccccc2)c2c(O)cc(C)n(CCOC)c2=O)CC1
InChIInChI=1S/C22H31N3O3/c1-4-23-10-12-24(13-11-23)21(18-8-6-5-7-9-18)20-19(26)16-17(2)25(22(20)27)14-15-28-3/h5-9,16,21,26H,4,10-15H2,1-3H3
InChIKeyCHQOTWUXBUXVQV-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.24
Rot. Bonds7

About 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one

3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one (PubChem CID 54703743) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
PubChem CID54703743
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
SMILESCCN1CCN(C(c2ccccc2)c2c(O)cc(C)n(CCOC)c2=O)CC1
InChIInChI=1S/C22H31N3O3/c1-4-23-10-12-24(13-11-23)21(18-8-6-5-7-9-18)20-19(26)16-17(2)25(22(20)27)14-15-28-3/h5-9,16,21,26H,4,10-15H2,1-3H3
InChIKeyCHQOTWUXBUXVQV-UHFFFAOYSA-N
XLogP2.24
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The IUPAC name of 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one (CID 54703743) is 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one.
What is the SMILES notation for 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The canonical SMILES for 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one is CCN1CCN(C(c2ccccc2)c2c(O)cc(C)n(CCOC)c2=O)CC1.
What is the InChIKey of 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The InChIKey is CHQOTWUXBUXVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-4-23-10-12-24(13-11-23)21(18-8-6-5-7-9-18)20-19(26)16-17(2)25(22(20)27)14-15-28-3/h5-9,16,21,26H,4,10-15H2,1-3H3.
What are the key properties of 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one has a molecular weight of 385.51 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one is sourced from PubChem (CID 54703743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).