methyl 3,4-dimethoxy-5-(4-methylpiperazin-1-yl)benzoate

C15H22N2O4 — CID 18958757

IUPACmethyl 3,4-dimethoxy-5-(4-methylpiperazin-1-yl)benzoate
SMILESCOC(=O)c1cc(OC)c(OC)c(N2CCN(C)CC2)c1
InChIInChI=1S/C15H22N2O4/c1-16-5-7-17(8-6-16)12-9-11(15(18)21-4)10-13(19-2)14(12)20-3/h9-10H,5-8H2,1-4H3
InChIKeyGIEWOTXUUVUQBT-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.24
Rot. Bonds4

About methyl 3,4-dimethoxy-5-(4-methylpiperazin-1-yl)benzoate

methyl 3,4-dimethoxy-5-(4-methylpiperazin-1-yl)benzoate (PubChem CID 18958757) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 3,4-dimethoxy-5-(4-methylpiperazin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 3,4-dimethoxy-5-(4-methylpiperazin-1-yl)benzoate
PubChem CID18958757
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 3,4-dimethoxy-5-(4-methylpiperazin-1-yl)benzoate
SMILESCOC(=O)c1cc(OC)c(OC)c(N2CCN(C)CC2)c1
InChIInChI=1S/C15H22N2O4/c1-16-5-7-17(8-6-16)12-9-11(15(18)21-4)10-13(19-2)14(12)20-3/h9-10H,5-8H2,1-4H3
InChIKeyGIEWOTXUUVUQBT-UHFFFAOYSA-N
XLogP1.24
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 13306108
4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride
CID 134105342
methyl 3-[(2-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 4896727
methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate
CID 176816359
methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate
CID 66996253
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806
6-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109154593
1-(2,3-dimethoxy-5-methoxycarbonylphenyl)-5-methyl-2-phenylpyrrole-3-carboxylic acid
CID 59324615
methyl 4-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]benzoate
CID 170457460
methyl 3-[(4-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 6456963
methyl 3-[(2,6-dimethoxybenzoyl)carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate
CID 17313751
methyl 3-(2-hydroxypropan-2-yl)-4,5-dimethoxybenzoate
CID 117388803

Frequently Asked Questions

What is the IUPAC name of methyl 3,4-dimethoxy-5-(4-methylpiperazin-1-yl)benzoate?
The IUPAC name of methyl 3,4-dimethoxy-5-(4-methylpiperazin-1-yl)benzoate (CID 18958757) is methyl 3,4-dimethoxy-5-(4-methylpiperazin-1-yl)benzoate.
What is the SMILES notation for methyl 3,4-dimethoxy-5-(4-methylpiperazin-1-yl)benzoate?
The canonical SMILES for methyl 3,4-dimethoxy-5-(4-methylpiperazin-1-yl)benzoate is COC(=O)c1cc(OC)c(OC)c(N2CCN(C)CC2)c1.
What is the InChIKey of methyl 3,4-dimethoxy-5-(4-methylpiperazin-1-yl)benzoate?
The InChIKey is GIEWOTXUUVUQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-16-5-7-17(8-6-16)12-9-11(15(18)21-4)10-13(19-2)14(12)20-3/h9-10H,5-8H2,1-4H3.
What are the key properties of methyl 3,4-dimethoxy-5-(4-methylpiperazin-1-yl)benzoate?
methyl 3,4-dimethoxy-5-(4-methylpiperazin-1-yl)benzoate has a molecular weight of 294.35 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-dimethoxy-5-(4-methylpiperazin-1-yl)benzoate is sourced from PubChem (CID 18958757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).