[1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone

C25H27N3O2 — CID 178132538

IUPAC[1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(CCCCc2ccc3[nH]ccc3c2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C25H27N3O2/c29-25(27-13-15-30-16-14-27)22-18-28(24-7-2-1-6-21(22)24)12-4-3-5-19-8-9-23-20(17-19)10-11-26-23/h1-2,6-11,17-18,26H,3-5,12-16H2
InChIKeyCIZVBGHKJAXPDE-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.62
Rot. Bonds6

About [1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone

[1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone (PubChem CID 178132538) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is [1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone
PubChem CID178132538
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name[1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(CCCCc2ccc3[nH]ccc3c2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C25H27N3O2/c29-25(27-13-15-30-16-14-27)22-18-28(24-7-2-1-6-21(22)24)12-4-3-5-19-8-9-23-20(17-19)10-11-26-23/h1-2,6-11,17-18,26H,3-5,12-16H2
InChIKeyCIZVBGHKJAXPDE-UHFFFAOYSA-N
XLogP4.62
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.62
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

[1-[4-(3-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132747
[1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132839
[1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132526
[6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
CID 178132606
[4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone
CID 178132612
morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone
CID 178132767
4-[4-[4-methyl-3-(morpholine-4-carbonyl)indol-1-yl]butyl]benzoic acid
CID 178132818
[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone
CID 178132778
methyl 3-[4-[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]butyl]benzoate
CID 177244684
N-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide
CID 178132617
morpholin-4-yl-[1-[2-(2-phenylcyclopropyl)ethyl]indol-3-yl]methanone
CID 178132738
[7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
CID 178132797

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone (CID 178132538) is [1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone is O=C(c1cn(CCCCc2ccc3[nH]ccc3c2)c2ccccc12)N1CCOCC1.
What is the InChIKey of [1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is CIZVBGHKJAXPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c29-25(27-13-15-30-16-14-27)22-18-28(24-7-2-1-6-21(22)24)12-4-3-5-19-8-9-23-20(17-19)10-11-26-23/h1-2,6-11,17-18,26H,3-5,12-16H2.
What are the key properties of [1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone?
[1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 401.51 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 178132538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).