3-[1-[3-(1H-indol-4-yloxy)propyl]piperidin-4-yl]isoquinoline

C25H27N3O — CID 141019082

IUPAC3-[1-[3-(1H-indol-4-yloxy)propyl]piperidin-4-yl]isoquinoline
SMILESc1ccc2cc(C3CCN(CCCOc4cccc5[nH]ccc45)CC3)ncc2c1
InChIInChI=1S/C25H27N3O/c1-2-6-21-18-27-24(17-20(21)5-1)19-10-14-28(15-11-19)13-4-16-29-25-8-3-7-23-22(25)9-12-26-23/h1-3,5-9,12,17-19,26H,4,10-11,13-16H2
InChIKeyVOFZBABYCRPOJO-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.36
Rot. Bonds6

About 3-[1-[3-(1H-indol-4-yloxy)propyl]piperidin-4-yl]isoquinoline

3-[1-[3-(1H-indol-4-yloxy)propyl]piperidin-4-yl]isoquinoline (PubChem CID 141019082) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-[1-[3-(1H-indol-4-yloxy)propyl]piperidin-4-yl]isoquinoline.

Molecular Properties

Compound Name3-[1-[3-(1H-indol-4-yloxy)propyl]piperidin-4-yl]isoquinoline
PubChem CID141019082
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name3-[1-[3-(1H-indol-4-yloxy)propyl]piperidin-4-yl]isoquinoline
SMILESc1ccc2cc(C3CCN(CCCOc4cccc5[nH]ccc45)CC3)ncc2c1
InChIInChI=1S/C25H27N3O/c1-2-6-21-18-27-24(17-20(21)5-1)19-10-14-28(15-11-19)13-4-16-29-25-8-3-7-23-22(25)9-12-26-23/h1-3,5-9,12,17-19,26H,4,10-11,13-16H2
InChIKeyVOFZBABYCRPOJO-UHFFFAOYSA-N
XLogP5.36
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole
CID 134100949
4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole
CID 10110269
3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine
CID 57150141
6-fluoro-3-[1-[3-(7-fluoronaphthalen-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole;hydrochloride
CID 70245042
6-fluoro-3-[1-[3-(1H-indol-6-yloxy)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 44628247
1-[3-(1H-indol-4-yloxy)propyl]-4-(6-propoxynaphthalen-2-yl)piperidin-4-ol;oxalic acid
CID 67573985
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
CID 169091638
2-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]benzonitrile
CID 172837364
3-[1-[3-(1H-indol-3-yloxy)propyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-indole
CID 67762256
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]oxy-1H-indole
CID 126951673
4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole
CID 126951523

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(1H-indol-4-yloxy)propyl]piperidin-4-yl]isoquinoline?
The IUPAC name of 3-[1-[3-(1H-indol-4-yloxy)propyl]piperidin-4-yl]isoquinoline (CID 141019082) is 3-[1-[3-(1H-indol-4-yloxy)propyl]piperidin-4-yl]isoquinoline.
What is the SMILES notation for 3-[1-[3-(1H-indol-4-yloxy)propyl]piperidin-4-yl]isoquinoline?
The canonical SMILES for 3-[1-[3-(1H-indol-4-yloxy)propyl]piperidin-4-yl]isoquinoline is c1ccc2cc(C3CCN(CCCOc4cccc5[nH]ccc45)CC3)ncc2c1.
What is the InChIKey of 3-[1-[3-(1H-indol-4-yloxy)propyl]piperidin-4-yl]isoquinoline?
The InChIKey is VOFZBABYCRPOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-2-6-21-18-27-24(17-20(21)5-1)19-10-14-28(15-11-19)13-4-16-29-25-8-3-7-23-22(25)9-12-26-23/h1-3,5-9,12,17-19,26H,4,10-11,13-16H2.
What are the key properties of 3-[1-[3-(1H-indol-4-yloxy)propyl]piperidin-4-yl]isoquinoline?
3-[1-[3-(1H-indol-4-yloxy)propyl]piperidin-4-yl]isoquinoline has a molecular weight of 385.51 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(1H-indol-4-yloxy)propyl]piperidin-4-yl]isoquinoline is sourced from PubChem (CID 141019082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).