4,5-bis[(4-methoxyphenyl)methoxy]-2-(2-piperidin-1-ylethyl)isoindole-1,3-dione

C31H34N2O6 — CID 90127345

IUPAC4,5-bis[(4-methoxyphenyl)methoxy]-2-(2-piperidin-1-ylethyl)isoindole-1,3-dione
SMILESCOc1ccc(COc2ccc3c(c2OCc2ccc(OC)cc2)C(=O)N(CCN2CCCCC2)C3=O)cc1
InChIInChI=1S/C31H34N2O6/c1-36-24-10-6-22(7-11-24)20-38-27-15-14-26-28(29(27)39-21-23-8-12-25(37-2)13-9-23)31(35)33(30(26)34)19-18-32-16-4-3-5-17-32/h6-15H,3-5,16-21H2,1-2H3
InChIKeyAPZOGKOPLMOHSU-UHFFFAOYSA-N
MW530.62 g/mol
LogP4.94
Rot. Bonds11

About 4,5-bis[(4-methoxyphenyl)methoxy]-2-(2-piperidin-1-ylethyl)isoindole-1,3-dione

4,5-bis[(4-methoxyphenyl)methoxy]-2-(2-piperidin-1-ylethyl)isoindole-1,3-dione (PubChem CID 90127345) has the molecular formula C31H34N2O6 and a molecular weight of 530.62 g/mol. Its IUPAC name is 4,5-bis[(4-methoxyphenyl)methoxy]-2-(2-piperidin-1-ylethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4,5-bis[(4-methoxyphenyl)methoxy]-2-(2-piperidin-1-ylethyl)isoindole-1,3-dione
PubChem CID90127345
Molecular FormulaC31H34N2O6
Molecular Weight530.62 g/mol
Exact Mass530.24
IUPAC Name4,5-bis[(4-methoxyphenyl)methoxy]-2-(2-piperidin-1-ylethyl)isoindole-1,3-dione
SMILESCOc1ccc(COc2ccc3c(c2OCc2ccc(OC)cc2)C(=O)N(CCN2CCCCC2)C3=O)cc1
InChIInChI=1S/C31H34N2O6/c1-36-24-10-6-22(7-11-24)20-38-27-15-14-26-28(29(27)39-21-23-8-12-25(37-2)13-9-23)31(35)33(30(26)34)19-18-32-16-4-3-5-17-32/h6-15H,3-5,16-21H2,1-2H3
InChIKeyAPZOGKOPLMOHSU-UHFFFAOYSA-N
XLogP4.94
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.62
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-4,5-bis[(4-methoxyphenyl)methoxy]isoindole-1,3-dione
CID 90127616
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
4-[(4-methoxyphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
CID 53324076
5-methyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1,3-dione
CID 23733624
1-[6-(4-methoxyphenyl)hexyl]piperidine
CID 129295861
2-(2-piperidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione
CID 3389100
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 58374002
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
[6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 140514001
8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one
CID 135373685

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[(4-methoxyphenyl)methoxy]-2-(2-piperidin-1-ylethyl)isoindole-1,3-dione?
The IUPAC name of 4,5-bis[(4-methoxyphenyl)methoxy]-2-(2-piperidin-1-ylethyl)isoindole-1,3-dione (CID 90127345) is 4,5-bis[(4-methoxyphenyl)methoxy]-2-(2-piperidin-1-ylethyl)isoindole-1,3-dione.
What is the SMILES notation for 4,5-bis[(4-methoxyphenyl)methoxy]-2-(2-piperidin-1-ylethyl)isoindole-1,3-dione?
The canonical SMILES for 4,5-bis[(4-methoxyphenyl)methoxy]-2-(2-piperidin-1-ylethyl)isoindole-1,3-dione is COc1ccc(COc2ccc3c(c2OCc2ccc(OC)cc2)C(=O)N(CCN2CCCCC2)C3=O)cc1.
What is the InChIKey of 4,5-bis[(4-methoxyphenyl)methoxy]-2-(2-piperidin-1-ylethyl)isoindole-1,3-dione?
The InChIKey is APZOGKOPLMOHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O6/c1-36-24-10-6-22(7-11-24)20-38-27-15-14-26-28(29(27)39-21-23-8-12-25(37-2)13-9-23)31(35)33(30(26)34)19-18-32-16-4-3-5-17-32/h6-15H,3-5,16-21H2,1-2H3.
What are the key properties of 4,5-bis[(4-methoxyphenyl)methoxy]-2-(2-piperidin-1-ylethyl)isoindole-1,3-dione?
4,5-bis[(4-methoxyphenyl)methoxy]-2-(2-piperidin-1-ylethyl)isoindole-1,3-dione has a molecular weight of 530.62 g/mol, XLogP of 4.94, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[(4-methoxyphenyl)methoxy]-2-(2-piperidin-1-ylethyl)isoindole-1,3-dione is sourced from PubChem (CID 90127345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).