1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one

C23H25FN2O2 — CID 51488484

IUPAC1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one
SMILESC[C@@H]1CN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)C[C@@H](C)O1
InChIInChI=1S/C23H25FN2O2/c1-15-13-26(14-16(2)28-15)22(27)11-9-19-20-12-18(24)8-10-21(20)25-23(19)17-6-4-3-5-7-17/h3-8,10,12,15-16,25H,9,11,13-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyDGEAQYMWAGSDAC-HZPDHXFCSA-N
MW380.46 g/mol
LogP4.54
Rot. Bonds4

About 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one

1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one (PubChem CID 51488484) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one
PubChem CID51488484
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one
SMILESC[C@@H]1CN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)C[C@@H](C)O1
InChIInChI=1S/C23H25FN2O2/c1-15-13-26(14-16(2)28-15)22(27)11-9-19-20-12-18(24)8-10-21(20)25-23(19)17-6-4-3-5-7-17/h3-8,10,12,15-16,25H,9,11,13-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyDGEAQYMWAGSDAC-HZPDHXFCSA-N
XLogP4.54
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one (CID 51488484) is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one is C[C@@H]1CN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)C[C@@H](C)O1.
What is the InChIKey of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one?
The InChIKey is DGEAQYMWAGSDAC-HZPDHXFCSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-15-13-26(14-16(2)28-15)22(27)11-9-19-20-12-18(24)8-10-21(20)25-23(19)17-6-4-3-5-7-17/h3-8,10,12,15-16,25H,9,11,13-14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one?
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one has a molecular weight of 380.46 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 51488484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).