morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone

C22H31N3O2 — CID 178132767

IUPACmorpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone
SMILESO=C(c1cn(CCCCC2CCNCC2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C22H31N3O2/c26-22(24-13-15-27-16-14-24)20-17-25(21-7-2-1-6-19(20)21)12-4-3-5-18-8-10-23-11-9-18/h1-2,6-7,17-18,23H,3-5,8-16H2
InChIKeyQMCOFNGZOGNTPE-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.28
Rot. Bonds6

About morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone

morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone (PubChem CID 178132767) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone
PubChem CID178132767
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Namemorpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone
SMILESO=C(c1cn(CCCCC2CCNCC2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C22H31N3O2/c26-22(24-13-15-27-16-14-24)20-17-25(21-7-2-1-6-19(20)21)12-4-3-5-18-8-10-23-11-9-18/h1-2,6-7,17-18,23H,3-5,8-16H2
InChIKeyQMCOFNGZOGNTPE-UHFFFAOYSA-N
XLogP3.28
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132526
morpholin-4-yl-[1-[2-(2-phenylcyclopropyl)ethyl]indol-3-yl]methanone
CID 178132738
[1-[4-(3-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132747
[1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132538
[1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132839
[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone
CID 178132778
1-[1-[4-[1-(4-fluorophenyl)azepan-4-yl]butyl]indol-3-yl]ethanone
CID 143502496
3-[[2-[1-(3-piperidin-4-ylpropyl)indol-3-yl]acetyl]amino]propanoic acid
CID 11058629
[6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
CID 178132606
4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid
CID 71734321
(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883917
2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid
CID 119177873

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone (CID 178132767) is morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone is O=C(c1cn(CCCCC2CCNCC2)c2ccccc12)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone?
The InChIKey is QMCOFNGZOGNTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c26-22(24-13-15-27-16-14-24)20-17-25(21-7-2-1-6-19(20)21)12-4-3-5-18-8-10-23-11-9-18/h1-2,6-7,17-18,23H,3-5,8-16H2.
What are the key properties of morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone?
morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone has a molecular weight of 369.51 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone is sourced from PubChem (CID 178132767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).