methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate

C14H20N2O3 — CID 176816359

IUPACmethyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate
SMILESCOC(=O)c1cc(N2CCN(C)CC2)ccc1OC
InChIInChI=1S/C14H20N2O3/c1-15-6-8-16(9-7-15)11-4-5-13(18-2)12(10-11)14(17)19-3/h4-5,10H,6-9H2,1-3H3
InChIKeyQLZTZKJPQYLCDD-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.23
Rot. Bonds3

About methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate

methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate (PubChem CID 176816359) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate
PubChem CID176816359
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate
SMILESCOC(=O)c1cc(N2CCN(C)CC2)ccc1OC
InChIInChI=1S/C14H20N2O3/c1-15-6-8-16(9-7-15)11-4-5-13(18-2)12(10-11)14(17)19-3/h4-5,10H,6-9H2,1-3H3
InChIKeyQLZTZKJPQYLCDD-UHFFFAOYSA-N
XLogP1.23
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate
CID 66996253
methyl 2-chloro-4-(4-methylpiperazin-1-yl)benzoate
CID 122129607
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
2-methoxy-4-(4-methylpiperazin-1-yl)benzoyl chloride
CID 142792187
1-(3,4-dimethoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108866230
[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]boronic acid
CID 124926588
methyl 2-butoxy-5-piperidin-1-ylbenzoate
CID 70668646
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 55788209
2-methoxy-5-(4-methylpiperazin-1-yl)-N-[1-(1,2,3,4-tetrahydroacenaphthylen-5-yl)cyclopropyl]benzamide
CID 176905240
2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-(4-methyl-1,4-diazepan-1-yl)benzoic acid
CID 46325306
N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 110668031

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate?
The IUPAC name of methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate (CID 176816359) is methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate.
What is the SMILES notation for methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate?
The canonical SMILES for methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate is COC(=O)c1cc(N2CCN(C)CC2)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate?
The InChIKey is QLZTZKJPQYLCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15-6-8-16(9-7-15)11-4-5-13(18-2)12(10-11)14(17)19-3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate?
methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate has a molecular weight of 264.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate is sourced from PubChem (CID 176816359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).