6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(pyridin-2-ylmethyl)-1,4-diazepan-2-one

C21H26FN3O2 — CID 56918295

IUPAC6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
SMILESCC(C)N1CC(OCc2ccc(F)cc2)CN(Cc2ccccn2)CC1=O
InChIInChI=1S/C21H26FN3O2/c1-16(2)25-13-20(27-15-17-6-8-18(22)9-7-17)12-24(14-21(25)26)11-19-5-3-4-10-23-19/h3-10,16,20H,11-15H2,1-2H3
InChIKeyVWAWANMRTUBNCH-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.86
Rot. Bonds6

About 6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(pyridin-2-ylmethyl)-1,4-diazepan-2-one

6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(pyridin-2-ylmethyl)-1,4-diazepan-2-one (PubChem CID 56918295) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(pyridin-2-ylmethyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
PubChem CID56918295
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
SMILESCC(C)N1CC(OCc2ccc(F)cc2)CN(Cc2ccccn2)CC1=O
InChIInChI=1S/C21H26FN3O2/c1-16(2)25-13-20(27-15-17-6-8-18(22)9-7-17)12-24(14-21(25)26)11-19-5-3-4-10-23-19/h3-10,16,20H,11-15H2,1-2H3
InChIKeyVWAWANMRTUBNCH-UHFFFAOYSA-N
XLogP2.86
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(pyridin-2-ylmethyl)-1,4-diazepan-2-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 6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(pyridin-2-ylmethyl)-1,4-diazepan-2-one?
The IUPAC name of 6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(pyridin-2-ylmethyl)-1,4-diazepan-2-one (CID 56918295) is 6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(pyridin-2-ylmethyl)-1,4-diazepan-2-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(pyridin-2-ylmethyl)-1,4-diazepan-2-one?
The canonical SMILES for 6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(pyridin-2-ylmethyl)-1,4-diazepan-2-one is CC(C)N1CC(OCc2ccc(F)cc2)CN(Cc2ccccn2)CC1=O.
What is the InChIKey of 6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(pyridin-2-ylmethyl)-1,4-diazepan-2-one?
The InChIKey is VWAWANMRTUBNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-16(2)25-13-20(27-15-17-6-8-18(22)9-7-17)12-24(14-21(25)26)11-19-5-3-4-10-23-19/h3-10,16,20H,11-15H2,1-2H3.
What are the key properties of 6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(pyridin-2-ylmethyl)-1,4-diazepan-2-one?
6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(pyridin-2-ylmethyl)-1,4-diazepan-2-one has a molecular weight of 371.46 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(pyridin-2-ylmethyl)-1,4-diazepan-2-one is sourced from PubChem (CID 56918295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).