methyl 4-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoate

C24H26N2O8 — CID 55326116

IUPACmethyl 4-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(OCC(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)c(OC)c1
InChIInChI=1S/C24H26N2O8/c1-30-20-13-16(24(29)31-2)7-8-18(20)33-15-22(27)25-9-11-26(12-10-25)23(28)21-14-32-17-5-3-4-6-19(17)34-21/h3-8,13,21H,9-12,14-15H2,1-2H3
InChIKeyPXVFJIVVEIUEAL-UHFFFAOYSA-N
MW470.48 g/mol
LogP1.37
Rot. Bonds6

About methyl 4-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoate

methyl 4-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoate (PubChem CID 55326116) has the molecular formula C24H26N2O8 and a molecular weight of 470.48 g/mol. Its IUPAC name is methyl 4-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoate
PubChem CID55326116
Molecular FormulaC24H26N2O8
Molecular Weight470.48 g/mol
Exact Mass470.17
IUPAC Namemethyl 4-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(OCC(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)c(OC)c1
InChIInChI=1S/C24H26N2O8/c1-30-20-13-16(24(29)31-2)7-8-18(20)33-15-22(27)25-9-11-26(12-10-25)23(28)21-14-32-17-5-3-4-6-19(17)34-21/h3-8,13,21H,9-12,14-15H2,1-2H3
InChIKeyPXVFJIVVEIUEAL-UHFFFAOYSA-N
XLogP1.37
TPSA103.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 4-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethoxy]benzoate
CID 55326037
(2-methoxy-4-methoxycarbonylphenyl) (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 8840323
1-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-2-(2,6-dimethylphenoxy)ethanone
CID 40899690
2-(2,3-dichlorophenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone
CID 42986304
3-chloro-4-[2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-2-oxoethoxy]benzonitrile
CID 26012125
methyl 2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]benzoate
CID 131740216
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(3,4-dimethoxy-5-prop-2-enylbenzoyl)piperazin-1-yl]methanone
CID 31957121
6-chloro-7-[2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one
CID 41057980
N-[2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 30826949
2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9368281
4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 17322150
ethyl 4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazine-1-carboxylate
CID 756603

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoate?
The IUPAC name of methyl 4-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoate (CID 55326116) is methyl 4-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoate?
The canonical SMILES for methyl 4-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoate is COC(=O)c1ccc(OCC(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)c(OC)c1.
What is the InChIKey of methyl 4-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoate?
The InChIKey is PXVFJIVVEIUEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O8/c1-30-20-13-16(24(29)31-2)7-8-18(20)33-15-22(27)25-9-11-26(12-10-25)23(28)21-14-32-17-5-3-4-6-19(17)34-21/h3-8,13,21H,9-12,14-15H2,1-2H3.
What are the key properties of methyl 4-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoate?
methyl 4-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoate has a molecular weight of 470.48 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoate is sourced from PubChem (CID 55326116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).