dimethyl 3-[2-methoxy-4-(2-piperidin-1-ylethoxy)anilino]benzene-1,2-dicarboxylate

C24H30N2O6 — CID 58307180

IUPACdimethyl 3-[2-methoxy-4-(2-piperidin-1-ylethoxy)anilino]benzene-1,2-dicarboxylate
SMILESCOC(=O)c1cccc(Nc2ccc(OCCN3CCCCC3)cc2OC)c1C(=O)OC
InChIInChI=1S/C24H30N2O6/c1-29-21-16-17(32-15-14-26-12-5-4-6-13-26)10-11-19(21)25-20-9-7-8-18(23(27)30-2)22(20)24(28)31-3/h7-11,16,25H,4-6,12-15H2,1-3H3
InChIKeyMKUVWFKOVZBSTM-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.88
Rot. Bonds9

About dimethyl 3-[2-methoxy-4-(2-piperidin-1-ylethoxy)anilino]benzene-1,2-dicarboxylate

dimethyl 3-[2-methoxy-4-(2-piperidin-1-ylethoxy)anilino]benzene-1,2-dicarboxylate (PubChem CID 58307180) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is dimethyl 3-[2-methoxy-4-(2-piperidin-1-ylethoxy)anilino]benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[2-methoxy-4-(2-piperidin-1-ylethoxy)anilino]benzene-1,2-dicarboxylate
PubChem CID58307180
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Namedimethyl 3-[2-methoxy-4-(2-piperidin-1-ylethoxy)anilino]benzene-1,2-dicarboxylate
SMILESCOC(=O)c1cccc(Nc2ccc(OCCN3CCCCC3)cc2OC)c1C(=O)OC
InChIInChI=1S/C24H30N2O6/c1-29-21-16-17(32-15-14-26-12-5-4-6-13-26)10-11-19(21)25-20-9-7-8-18(23(27)30-2)22(20)24(28)31-3/h7-11,16,25H,4-6,12-15H2,1-3H3
InChIKeyMKUVWFKOVZBSTM-UHFFFAOYSA-N
XLogP3.88
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-methoxy-4-(2-pyrrolidin-1-ylethoxy)anilino]phthalic acid
CID 141169733
dimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate
CID 58307153
dimethyl 3-[2-[2-(dimethylamino)ethoxy]-4-methoxyanilino]benzene-1,2-dicarboxylate
CID 58307247
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
3-(2,4-dimethoxyanilino)phthalic acid
CID 58307328
2-piperidin-1-ylethyl 2,4-dimethoxybenzoate
CID 838965
3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
CID 2901116
2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093801
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
6-N-(furan-2-ylmethyl)-4-N-[2-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-4,6-diamine
CID 142748428
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[2-methoxy-4-(2-piperidin-1-ylethoxy)anilino]benzene-1,2-dicarboxylate?
The IUPAC name of dimethyl 3-[2-methoxy-4-(2-piperidin-1-ylethoxy)anilino]benzene-1,2-dicarboxylate (CID 58307180) is dimethyl 3-[2-methoxy-4-(2-piperidin-1-ylethoxy)anilino]benzene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 3-[2-methoxy-4-(2-piperidin-1-ylethoxy)anilino]benzene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 3-[2-methoxy-4-(2-piperidin-1-ylethoxy)anilino]benzene-1,2-dicarboxylate is COC(=O)c1cccc(Nc2ccc(OCCN3CCCCC3)cc2OC)c1C(=O)OC.
What is the InChIKey of dimethyl 3-[2-methoxy-4-(2-piperidin-1-ylethoxy)anilino]benzene-1,2-dicarboxylate?
The InChIKey is MKUVWFKOVZBSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-29-21-16-17(32-15-14-26-12-5-4-6-13-26)10-11-19(21)25-20-9-7-8-18(23(27)30-2)22(20)24(28)31-3/h7-11,16,25H,4-6,12-15H2,1-3H3.
What are the key properties of dimethyl 3-[2-methoxy-4-(2-piperidin-1-ylethoxy)anilino]benzene-1,2-dicarboxylate?
dimethyl 3-[2-methoxy-4-(2-piperidin-1-ylethoxy)anilino]benzene-1,2-dicarboxylate has a molecular weight of 442.51 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[2-methoxy-4-(2-piperidin-1-ylethoxy)anilino]benzene-1,2-dicarboxylate is sourced from PubChem (CID 58307180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).