2-(4-chlorophenyl)-8-piperidin-4-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one

C23H21ClN2O2 — CID 53251940

IUPAC2-(4-chlorophenyl)-8-piperidin-4-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one
SMILESO=C1Nc2ccc(C3CCNCC3)cc2Cc2cc(-c3ccc(Cl)cc3)oc21
InChIInChI=1S/C23H21ClN2O2/c24-19-4-1-15(2-5-19)21-13-18-12-17-11-16(14-7-9-25-10-8-14)3-6-20(17)26-23(27)22(18)28-21/h1-6,11,13-14,25H,7-10,12H2,(H,26,27)
InChIKeyRDLGFGGONWCSDW-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.22
Rot. Bonds2

About 2-(4-chlorophenyl)-8-piperidin-4-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one

2-(4-chlorophenyl)-8-piperidin-4-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one (PubChem CID 53251940) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-piperidin-4-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-piperidin-4-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one
PubChem CID53251940
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name2-(4-chlorophenyl)-8-piperidin-4-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one
SMILESO=C1Nc2ccc(C3CCNCC3)cc2Cc2cc(-c3ccc(Cl)cc3)oc21
InChIInChI=1S/C23H21ClN2O2/c24-19-4-1-15(2-5-19)21-13-18-12-17-11-16(14-7-9-25-10-8-14)3-6-20(17)26-23(27)22(18)28-21/h1-6,11,13-14,25H,7-10,12H2,(H,26,27)
InChIKeyRDLGFGGONWCSDW-UHFFFAOYSA-N
XLogP5.22
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-8-piperidin-4-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-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 2-(4-chlorophenyl)-8-piperidin-4-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-8-piperidin-4-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one (CID 53251940) is 2-(4-chlorophenyl)-8-piperidin-4-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-8-piperidin-4-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-8-piperidin-4-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one is O=C1Nc2ccc(C3CCNCC3)cc2Cc2cc(-c3ccc(Cl)cc3)oc21.
What is the InChIKey of 2-(4-chlorophenyl)-8-piperidin-4-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one?
The InChIKey is RDLGFGGONWCSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c24-19-4-1-15(2-5-19)21-13-18-12-17-11-16(14-7-9-25-10-8-14)3-6-20(17)26-23(27)22(18)28-21/h1-6,11,13-14,25H,7-10,12H2,(H,26,27).
What are the key properties of 2-(4-chlorophenyl)-8-piperidin-4-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one?
2-(4-chlorophenyl)-8-piperidin-4-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one has a molecular weight of 392.89 g/mol, XLogP of 5.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-piperidin-4-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one is sourced from PubChem (CID 53251940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).