1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine

C23H26N2O4 — CID 15839978

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine
SMILESc1cc2c(c(N3CCC(NC4Cc5cc6c(cc5C4)OCO6)CC3)c1)OCCO2
InChIInChI=1S/C23H26N2O4/c1-2-19(23-20(3-1)26-8-9-27-23)25-6-4-17(5-7-25)24-18-10-15-12-21-22(29-14-28-21)13-16(15)11-18/h1-3,12-13,17-18,24H,4-11,14H2
InChIKeyMXNPZIASPIXENL-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.91
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine (PubChem CID 15839978) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine
PubChem CID15839978
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine
SMILESc1cc2c(c(N3CCC(NC4Cc5cc6c(cc5C4)OCO6)CC3)c1)OCCO2
InChIInChI=1S/C23H26N2O4/c1-2-19(23-20(3-1)26-8-9-27-23)25-6-4-17(5-7-25)24-18-10-15-12-21-22(29-14-28-21)13-16(15)11-18/h1-3,12-13,17-18,24H,4-11,14H2
InChIKeyMXNPZIASPIXENL-UHFFFAOYSA-N
XLogP2.91
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine (CID 15839978) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine is c1cc2c(c(N3CCC(NC4Cc5cc6c(cc5C4)OCO6)CC3)c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine?
The InChIKey is MXNPZIASPIXENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-2-19(23-20(3-1)26-8-9-27-23)25-6-4-17(5-7-25)24-18-10-15-12-21-22(29-14-28-21)13-16(15)11-18/h1-3,12-13,17-18,24H,4-11,14H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine has a molecular weight of 394.47 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine is sourced from PubChem (CID 15839978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).