2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone

C16H24N2O4 — CID 13306108

IUPAC2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(C(=O)CN2CCN(C)CC2)cc(OC)c1OC
InChIInChI=1S/C16H24N2O4/c1-17-5-7-18(8-6-17)11-13(19)12-9-14(20-2)16(22-4)15(10-12)21-3/h9-10H,5-8,11H2,1-4H3
InChIKeySKGOPIXHIXPWFT-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.14
Rot. Bonds6

About 2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone

2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone (PubChem CID 13306108) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
PubChem CID13306108
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(C(=O)CN2CCN(C)CC2)cc(OC)c1OC
InChIInChI=1S/C16H24N2O4/c1-17-5-7-18(8-6-17)11-13(19)12-9-14(20-2)16(22-4)15(10-12)21-3/h9-10H,5-8,11H2,1-4H3
InChIKeySKGOPIXHIXPWFT-UHFFFAOYSA-N
XLogP1.14
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 28806
1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861684
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone;dihydrochloride
CID 28739
1-(3-chloro-5-fluoro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862105
1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 82164279
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone;dihydrochloride
CID 28078
1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861605
2-(4-methylpiperazin-1-yl)-1-(3,4,5-trifluorophenyl)ethanone
CID 170861659
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-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861337
1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone (CID 13306108) is 2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone is COc1cc(C(=O)CN2CCN(C)CC2)cc(OC)c1OC.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone?
The InChIKey is SKGOPIXHIXPWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-17-5-7-18(8-6-17)11-13(19)12-9-14(20-2)16(22-4)15(10-12)21-3/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone?
2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone has a molecular weight of 308.38 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone is sourced from PubChem (CID 13306108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).