(11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5H-benzo[c][1]benzazepin-6-one

C28H27ClN2O2 — CID 10238568

IUPAC(11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5H-benzo[c][1]benzazepin-6-one
SMILESO=C1Nc2ccccc2/C(=C/CCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21
InChIInChI=1S/C28H27ClN2O2/c29-21-13-11-20(12-14-21)28(33)15-18-31(19-16-28)17-5-9-22-23-6-1-2-8-25(23)27(32)30-26-10-4-3-7-24(22)26/h1-4,6-14,33H,5,15-19H2,(H,30,32)/b22-9+
InChIKeyGOIVDALBWSDJAM-LSFURLLWSA-N
MW458.99 g/mol
LogP5.71
Rot. Bonds4

About (11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5H-benzo[c][1]benzazepin-6-one

(11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5H-benzo[c][1]benzazepin-6-one (PubChem CID 10238568) has the molecular formula C28H27ClN2O2 and a molecular weight of 458.99 g/mol. Its IUPAC name is (11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5H-benzo[c][1]benzazepin-6-one.

Molecular Properties

Compound Name(11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5H-benzo[c][1]benzazepin-6-one
PubChem CID10238568
Molecular FormulaC28H27ClN2O2
Molecular Weight458.99 g/mol
Exact Mass458.18
IUPAC Name(11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5H-benzo[c][1]benzazepin-6-one
SMILESO=C1Nc2ccccc2/C(=C/CCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21
InChIInChI=1S/C28H27ClN2O2/c29-21-13-11-20(12-14-21)28(33)15-18-31(19-16-28)17-5-9-22-23-6-1-2-8-25(23)27(32)30-26-10-4-3-7-24(22)26/h1-4,6-14,33H,5,15-19H2,(H,30,32)/b22-9+
InChIKeyGOIVDALBWSDJAM-LSFURLLWSA-N
XLogP5.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.99
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5H-benzo[c][1]benzazepin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

Tolvaptan
CID 216237
Samsca
CID 443894
N-(4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)phenyl)-2-methylbenzamide
CID 44520892
1-(2-Aminobenzoyl)-4-(4-chlorophenyl)-4-piperidinol
CID 851820
11-[3-[4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-5-methyl-6-oxobenzo[c][1]benzazepine-11-carbonitrile
CID 10649043
3-(3-benzoylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one
CID 54698869
3-(3-benzylphenyl)-7-chloro-4-hydroxy-2(1H)-quinolone
CID 54699137
3-(3-benzylaminophenyl)-7-chloro-4-hydroxy-2(1H)-quinolone
CID 54710935
3-[2-(carbamoylamino)phenyl]-N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 57889023
4-(4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-(dimethylamino)phenyl)-1-butanone
CID 32589
Benzazepine derivative, 31
CID 44520895
2-{[(4-Chlorophenyl)(phenyl)methyl]amino}benzoic acid
CID 155889

Frequently Asked Questions

What is the IUPAC name of (11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5H-benzo[c][1]benzazepin-6-one?
The IUPAC name of (11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5H-benzo[c][1]benzazepin-6-one (CID 10238568) is (11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5H-benzo[c][1]benzazepin-6-one.
What is the SMILES notation for (11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5H-benzo[c][1]benzazepin-6-one?
The canonical SMILES for (11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5H-benzo[c][1]benzazepin-6-one is O=C1Nc2ccccc2/C(=C/CCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21.
What is the InChIKey of (11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5H-benzo[c][1]benzazepin-6-one?
The InChIKey is GOIVDALBWSDJAM-LSFURLLWSA-N. The full InChI is InChI=1S/C28H27ClN2O2/c29-21-13-11-20(12-14-21)28(33)15-18-31(19-16-28)17-5-9-22-23-6-1-2-8-25(23)27(32)30-26-10-4-3-7-24(22)26/h1-4,6-14,33H,5,15-19H2,(H,30,32)/b22-9+.
What are the key properties of (11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5H-benzo[c][1]benzazepin-6-one?
(11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5H-benzo[c][1]benzazepin-6-one has a molecular weight of 458.99 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5H-benzo[c][1]benzazepin-6-one is sourced from PubChem (CID 10238568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).