1-(3,4-dihydro-2H-chromen-8-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine

C24H28N2O3 — CID 15839998

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine
SMILESc1cc2c(c(N3CCC(NC4Cc5cc6c(cc5C4)OCO6)CC3)c1)OCCC2
InChIInChI=1S/C24H28N2O3/c1-3-16-4-2-10-27-24(16)21(5-1)26-8-6-19(7-9-26)25-20-11-17-13-22-23(29-15-28-22)14-18(17)12-20/h1,3,5,13-14,19-20,25H,2,4,6-12,15H2
InChIKeyRCBHFTIWVWXGBL-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.47
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-8-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine

1-(3,4-dihydro-2H-chromen-8-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine (PubChem CID 15839998) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine
PubChem CID15839998
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine
SMILESc1cc2c(c(N3CCC(NC4Cc5cc6c(cc5C4)OCO6)CC3)c1)OCCC2
InChIInChI=1S/C24H28N2O3/c1-3-16-4-2-10-27-24(16)21(5-1)26-8-6-19(7-9-26)25-20-11-17-13-22-23(29-15-28-22)14-18(17)12-20/h1,3,5,13-14,19-20,25H,2,4,6-12,15H2
InChIKeyRCBHFTIWVWXGBL-UHFFFAOYSA-N
XLogP3.47
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1-(2,3-dihydro-benzofuran-7-yl)-piperidin-4-ylmethyl]-amine
CID 10691211
1-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 71659980
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
CID 15839987
N-(2,3-dihydro-1H-inden-2-yl)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperidin-4-amine
CID 15839992
1-(3,4-dihydro-2H-chromen-8-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
CID 15839996
1-(2,3-dihydro-1-benzofuran-7-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
CID 15839997
3-(2,2-difluoro-1,3-benzodioxol-5-yl)-8-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 59379216
Rmvzwqkhesubig-uhfffaoysa-
CID 13805958
6-[[1-(3,4-dihydro-2H-chromen-8-yl)piperidin-4-yl]amino]-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-ol
CID 9953274
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-4-amine
CID 11100927
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidin-4-amine
CID 15389366
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[(3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)methyl]piperidin-4-amine
CID 15389369

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine (CID 15839998) is 1-(3,4-dihydro-2H-chromen-8-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-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)OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine?
The InChIKey is RCBHFTIWVWXGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-3-16-4-2-10-27-24(16)21(5-1)26-8-6-19(7-9-26)25-20-11-17-13-22-23(29-15-28-22)14-18(17)12-20/h1,3,5,13-14,19-20,25H,2,4,6-12,15H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine?
1-(3,4-dihydro-2H-chromen-8-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine has a molecular weight of 392.50 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine is sourced from PubChem (CID 15839998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).