3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol

C25H29N3O2 — CID 21469424

IUPAC3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol
SMILESCOc1ccc2[nH]cc(CCCN3CCC(c4c[nH]c5ccc(O)cc45)CC3)c2c1
InChIInChI=1S/C25H29N3O2/c1-30-20-5-7-24-21(14-20)18(15-26-24)3-2-10-28-11-8-17(9-12-28)23-16-27-25-6-4-19(29)13-22(23)25/h4-7,13-17,26-27,29H,2-3,8-12H2,1H3
InChIKeyMPGFGSBGHIQFJN-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.18
Rot. Bonds6

About 3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol

3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol (PubChem CID 21469424) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol
PubChem CID21469424
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol
SMILESCOc1ccc2[nH]cc(CCCN3CCC(c4c[nH]c5ccc(O)cc45)CC3)c2c1
InChIInChI=1S/C25H29N3O2/c1-30-20-5-7-24-21(14-20)18(15-26-24)3-2-10-28-11-8-17(9-12-28)23-16-27-25-6-4-19(29)13-22(23)25/h4-7,13-17,26-27,29H,2-3,8-12H2,1H3
InChIKeyMPGFGSBGHIQFJN-UHFFFAOYSA-N
XLogP5.18
TPSA64.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole
CID 21469370
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
3-[3-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]propyl]-1H-indole-5-carboxylic acid
CID 22364674
1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 47538961
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
2-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol
CID 67713328
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol
CID 123758816
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
[3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indol-5-yl] hydrogen carbonate
CID 70412080

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol?
The IUPAC name of 3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol (CID 21469424) is 3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol.
What is the SMILES notation for 3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol?
The canonical SMILES for 3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol is COc1ccc2[nH]cc(CCCN3CCC(c4c[nH]c5ccc(O)cc45)CC3)c2c1.
What is the InChIKey of 3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol?
The InChIKey is MPGFGSBGHIQFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-30-20-5-7-24-21(14-20)18(15-26-24)3-2-10-28-11-8-17(9-12-28)23-16-27-25-6-4-19(29)13-22(23)25/h4-7,13-17,26-27,29H,2-3,8-12H2,1H3.
What are the key properties of 3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol?
3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol has a molecular weight of 403.53 g/mol, XLogP of 5.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol is sourced from PubChem (CID 21469424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).