7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole

C26H29N3O3 — CID 21469370

IUPAC7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole
SMILESCOc1ccc2[nH]cc(CCCN3CCC(c4c[nH]c5cc6c(cc45)OCO6)CC3)c2c1
InChIInChI=1S/C26H29N3O3/c1-30-19-4-5-23-20(11-19)18(14-27-23)3-2-8-29-9-6-17(7-10-29)22-15-28-24-13-26-25(12-21(22)24)31-16-32-26/h4-5,11-15,17,27-28H,2-3,6-10,16H2,1H3
InChIKeyYLWCWPAGWKTAGN-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.20
Rot. Bonds6

About 7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole

7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole (PubChem CID 21469370) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole.

Molecular Properties

Compound Name7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole
PubChem CID21469370
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole
SMILESCOc1ccc2[nH]cc(CCCN3CCC(c4c[nH]c5cc6c(cc45)OCO6)CC3)c2c1
InChIInChI=1S/C26H29N3O3/c1-30-19-4-5-23-20(11-19)18(14-27-23)3-2-8-29-9-6-17(7-10-29)22-15-28-24-13-26-25(12-21(22)24)31-16-32-26/h4-5,11-15,17,27-28H,2-3,6-10,16H2,1H3
InChIKeyYLWCWPAGWKTAGN-UHFFFAOYSA-N
XLogP5.20
TPSA62.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole with MolForge

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Related Compounds

3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol
CID 21469424
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-5-methoxy-1H-indole;hydrochloride
CID 131720346
3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72735021
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
3-[3-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid
CID 22364674
N-(4-methoxycyclohexyl)-3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylpropanamide
CID 175406462
3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole
CID 22364696
5-methoxy-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole
CID 122140104
1-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 155562519
3-(5-fluoro-1H-indol-3-yl)-1-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione
CID 155524228
1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 47538961

Frequently Asked Questions

What is the IUPAC name of 7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole?
The IUPAC name of 7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole (CID 21469370) is 7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole.
What is the SMILES notation for 7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole?
The canonical SMILES for 7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole is COc1ccc2[nH]cc(CCCN3CCC(c4c[nH]c5cc6c(cc45)OCO6)CC3)c2c1.
What is the InChIKey of 7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole?
The InChIKey is YLWCWPAGWKTAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-30-19-4-5-23-20(11-19)18(14-27-23)3-2-8-29-9-6-17(7-10-29)22-15-28-24-13-26-25(12-21(22)24)31-16-32-26/h4-5,11-15,17,27-28H,2-3,6-10,16H2,1H3.
What are the key properties of 7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole?
7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole has a molecular weight of 431.54 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole is sourced from PubChem (CID 21469370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).