4-(1-benzylindol-3-yl)-1-morpholin-4-ylbutan-1-one

C23H26N2O2 — CID 25031572

IUPAC4-(1-benzylindol-3-yl)-1-morpholin-4-ylbutan-1-one
SMILESO=C(CCCc1cn(Cc2ccccc2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C23H26N2O2/c26-23(24-13-15-27-16-14-24)12-6-9-20-18-25(17-19-7-2-1-3-8-19)22-11-5-4-10-21(20)22/h1-5,7-8,10-11,18H,6,9,12-17H2
InChIKeyJHGAHFOLZKFSMH-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.87
Rot. Bonds6

About 4-(1-benzylindol-3-yl)-1-morpholin-4-ylbutan-1-one

4-(1-benzylindol-3-yl)-1-morpholin-4-ylbutan-1-one (PubChem CID 25031572) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-(1-benzylindol-3-yl)-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-(1-benzylindol-3-yl)-1-morpholin-4-ylbutan-1-one
PubChem CID25031572
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name4-(1-benzylindol-3-yl)-1-morpholin-4-ylbutan-1-one
SMILESO=C(CCCc1cn(Cc2ccccc2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C23H26N2O2/c26-23(24-13-15-27-16-14-24)12-6-9-20-18-25(17-19-7-2-1-3-8-19)22-11-5-4-10-21(20)22/h1-5,7-8,10-11,18H,6,9,12-17H2
InChIKeyJHGAHFOLZKFSMH-UHFFFAOYSA-N
XLogP3.87
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylindol-3-yl)-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 4-(1-benzylindol-3-yl)-1-morpholin-4-ylbutan-1-one (CID 25031572) is 4-(1-benzylindol-3-yl)-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 4-(1-benzylindol-3-yl)-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 4-(1-benzylindol-3-yl)-1-morpholin-4-ylbutan-1-one is O=C(CCCc1cn(Cc2ccccc2)c2ccccc12)N1CCOCC1.
What is the InChIKey of 4-(1-benzylindol-3-yl)-1-morpholin-4-ylbutan-1-one?
The InChIKey is JHGAHFOLZKFSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-23(24-13-15-27-16-14-24)12-6-9-20-18-25(17-19-7-2-1-3-8-19)22-11-5-4-10-21(20)22/h1-5,7-8,10-11,18H,6,9,12-17H2.
What are the key properties of 4-(1-benzylindol-3-yl)-1-morpholin-4-ylbutan-1-one?
4-(1-benzylindol-3-yl)-1-morpholin-4-ylbutan-1-one has a molecular weight of 362.47 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylindol-3-yl)-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 25031572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).