1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone

C16H24N2O5 — CID 170861684

IUPAC1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1cc(OC)c(C(=O)CN2CCN(C)CC2)c(O)c1OC
InChIInChI=1S/C16H24N2O5/c1-17-5-7-18(8-6-17)10-11(19)14-12(21-2)9-13(22-3)16(23-4)15(14)20/h9,20H,5-8,10H2,1-4H3
InChIKeyKAPXNFBMJURFPF-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.85
Rot. Bonds6

About 1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone

1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 170861684) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID170861684
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1cc(OC)c(C(=O)CN2CCN(C)CC2)c(O)c1OC
InChIInChI=1S/C16H24N2O5/c1-17-5-7-18(8-6-17)10-11(19)14-12(21-2)9-13(22-3)16(23-4)15(14)20/h9,20H,5-8,10H2,1-4H3
InChIKeyKAPXNFBMJURFPF-UHFFFAOYSA-N
XLogP0.85
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 13306108
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193413
2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 93191529
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193340
1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408
1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 82164279
2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone
CID 170862115
1-(3-chloro-5-fluoro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862105
6-amino-2-hydroxy-3,4-dimethoxybenzoic acid
CID 84782545
1-(5,6-dimethoxy-2-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861299
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone;dihydrochloride
CID 28739

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone (CID 170861684) is 1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone is COc1cc(OC)c(C(=O)CN2CCN(C)CC2)c(O)c1OC.
What is the InChIKey of 1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is KAPXNFBMJURFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-17-5-7-18(8-6-17)10-11(19)14-12(21-2)9-13(22-3)16(23-4)15(14)20/h9,20H,5-8,10H2,1-4H3.
What are the key properties of 1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 324.38 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170861684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).