6-[2-[1-(3-pyridin-4-ylpropyl)piperidin-2-yl]ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole

C24H31N3O2 — CID 19804208

IUPAC6-[2-[1-(3-pyridin-4-ylpropyl)piperidin-2-yl]ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole
SMILESc1cc(CCCN2CCCCC2CCN2Cc3cc4c(cc3C2)OCO4)ccn1
InChIInChI=1S/C24H31N3O2/c1-2-11-27(12-3-4-19-6-9-25-10-7-19)22(5-1)8-13-26-16-20-14-23-24(29-18-28-23)15-21(20)17-26/h6-7,9-10,14-15,22H,1-5,8,11-13,16-18H2
InChIKeyUZQWEQVNJSPPCP-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.00
Rot. Bonds7

About 6-[2-[1-(3-pyridin-4-ylpropyl)piperidin-2-yl]ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole

6-[2-[1-(3-pyridin-4-ylpropyl)piperidin-2-yl]ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole (PubChem CID 19804208) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 6-[2-[1-(3-pyridin-4-ylpropyl)piperidin-2-yl]ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole.

Molecular Properties

Compound Name6-[2-[1-(3-pyridin-4-ylpropyl)piperidin-2-yl]ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole
PubChem CID19804208
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name6-[2-[1-(3-pyridin-4-ylpropyl)piperidin-2-yl]ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole
SMILESc1cc(CCCN2CCCCC2CCN2Cc3cc4c(cc3C2)OCO4)ccn1
InChIInChI=1S/C24H31N3O2/c1-2-11-27(12-3-4-19-6-9-25-10-7-19)22(5-1)8-13-26-16-20-14-23-24(29-18-28-23)15-21(20)17-26/h6-7,9-10,14-15,22H,1-5,8,11-13,16-18H2
InChIKeyUZQWEQVNJSPPCP-UHFFFAOYSA-N
XLogP4.00
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[1-(3-pyridin-4-ylpropyl)piperidin-2-yl]ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole?
The IUPAC name of 6-[2-[1-(3-pyridin-4-ylpropyl)piperidin-2-yl]ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole (CID 19804208) is 6-[2-[1-(3-pyridin-4-ylpropyl)piperidin-2-yl]ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole.
What is the SMILES notation for 6-[2-[1-(3-pyridin-4-ylpropyl)piperidin-2-yl]ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole?
The canonical SMILES for 6-[2-[1-(3-pyridin-4-ylpropyl)piperidin-2-yl]ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole is c1cc(CCCN2CCCCC2CCN2Cc3cc4c(cc3C2)OCO4)ccn1.
What is the InChIKey of 6-[2-[1-(3-pyridin-4-ylpropyl)piperidin-2-yl]ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole?
The InChIKey is UZQWEQVNJSPPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-2-11-27(12-3-4-19-6-9-25-10-7-19)22(5-1)8-13-26-16-20-14-23-24(29-18-28-23)15-21(20)17-26/h6-7,9-10,14-15,22H,1-5,8,11-13,16-18H2.
What are the key properties of 6-[2-[1-(3-pyridin-4-ylpropyl)piperidin-2-yl]ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole?
6-[2-[1-(3-pyridin-4-ylpropyl)piperidin-2-yl]ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole has a molecular weight of 393.53 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[1-(3-pyridin-4-ylpropyl)piperidin-2-yl]ethyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole is sourced from PubChem (CID 19804208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).