2-[[1-(8-methoxy-2-methyl-3,4-dihydrochromen-2-yl)piperidin-4-yl]methyl]isoindole-1,3-dione

C25H28N2O4 — CID 154318209

IUPAC2-[[1-(8-methoxy-2-methyl-3,4-dihydrochromen-2-yl)piperidin-4-yl]methyl]isoindole-1,3-dione
SMILESCOc1cccc2c1OC(C)(N1CCC(CN3C(=O)c4ccccc4C3=O)CC1)CC2
InChIInChI=1S/C25H28N2O4/c1-25(13-10-18-6-5-9-21(30-2)22(18)31-25)26-14-11-17(12-15-26)16-27-23(28)19-7-3-4-8-20(19)24(27)29/h3-9,17H,10-16H2,1-2H3
InChIKeyNNSPYFZXHGSSQA-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.74
Rot. Bonds4

About 2-[[1-(8-methoxy-2-methyl-3,4-dihydrochromen-2-yl)piperidin-4-yl]methyl]isoindole-1,3-dione

2-[[1-(8-methoxy-2-methyl-3,4-dihydrochromen-2-yl)piperidin-4-yl]methyl]isoindole-1,3-dione (PubChem CID 154318209) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[[1-(8-methoxy-2-methyl-3,4-dihydrochromen-2-yl)piperidin-4-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[1-(8-methoxy-2-methyl-3,4-dihydrochromen-2-yl)piperidin-4-yl]methyl]isoindole-1,3-dione
PubChem CID154318209
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name2-[[1-(8-methoxy-2-methyl-3,4-dihydrochromen-2-yl)piperidin-4-yl]methyl]isoindole-1,3-dione
SMILESCOc1cccc2c1OC(C)(N1CCC(CN3C(=O)c4ccccc4C3=O)CC1)CC2
InChIInChI=1S/C25H28N2O4/c1-25(13-10-18-6-5-9-21(30-2)22(18)31-25)26-14-11-17(12-15-26)16-27-23(28)19-7-3-4-8-20(19)24(27)29/h3-9,17H,10-16H2,1-2H3
InChIKeyNNSPYFZXHGSSQA-UHFFFAOYSA-N
XLogP3.74
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(8-methoxy-2-methyl-3,4-dihydrochromen-2-yl)piperidin-4-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[1-(8-methoxy-2-methyl-3,4-dihydrochromen-2-yl)piperidin-4-yl]methyl]isoindole-1,3-dione (CID 154318209) is 2-[[1-(8-methoxy-2-methyl-3,4-dihydrochromen-2-yl)piperidin-4-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[1-(8-methoxy-2-methyl-3,4-dihydrochromen-2-yl)piperidin-4-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[1-(8-methoxy-2-methyl-3,4-dihydrochromen-2-yl)piperidin-4-yl]methyl]isoindole-1,3-dione is COc1cccc2c1OC(C)(N1CCC(CN3C(=O)c4ccccc4C3=O)CC1)CC2.
What is the InChIKey of 2-[[1-(8-methoxy-2-methyl-3,4-dihydrochromen-2-yl)piperidin-4-yl]methyl]isoindole-1,3-dione?
The InChIKey is NNSPYFZXHGSSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-25(13-10-18-6-5-9-21(30-2)22(18)31-25)26-14-11-17(12-15-26)16-27-23(28)19-7-3-4-8-20(19)24(27)29/h3-9,17H,10-16H2,1-2H3.
What are the key properties of 2-[[1-(8-methoxy-2-methyl-3,4-dihydrochromen-2-yl)piperidin-4-yl]methyl]isoindole-1,3-dione?
2-[[1-(8-methoxy-2-methyl-3,4-dihydrochromen-2-yl)piperidin-4-yl]methyl]isoindole-1,3-dione has a molecular weight of 420.51 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(8-methoxy-2-methyl-3,4-dihydrochromen-2-yl)piperidin-4-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 154318209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).