1-[1-[2-[4-(3-chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone

C32H33Cl3N2O3 — CID 44528723

IUPAC1-[1-[2-[4-(3-chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
SMILESCC(=O)C1(c2ccccc2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3cccc(Cl)c3)CCO2)CC1
InChIInChI=1S/C32H33Cl3N2O3/c1-23(38)31(25-7-3-2-4-8-25)12-15-36(16-13-31)17-14-32(26-10-11-28(34)29(35)21-26)22-37(18-19-40-32)30(39)24-6-5-9-27(33)20-24/h2-11,20-21H,12-19,22H2,1H3
InChIKeyGCTKLNPCQFYBOB-UHFFFAOYSA-N
MW599.99 g/mol
LogP7.03
Rot. Bonds7

About 1-[1-[2-[4-(3-chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone

1-[1-[2-[4-(3-chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone (PubChem CID 44528723) has the molecular formula C32H33Cl3N2O3 and a molecular weight of 599.99 g/mol. Its IUPAC name is 1-[1-[2-[4-(3-chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-[4-(3-chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
PubChem CID44528723
Molecular FormulaC32H33Cl3N2O3
Molecular Weight599.99 g/mol
Exact Mass598.16
IUPAC Name1-[1-[2-[4-(3-chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
SMILESCC(=O)C1(c2ccccc2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3cccc(Cl)c3)CCO2)CC1
InChIInChI=1S/C32H33Cl3N2O3/c1-23(38)31(25-7-3-2-4-8-25)12-15-36(16-13-31)17-14-32(26-10-11-28(34)29(35)21-26)22-37(18-19-40-32)30(39)24-6-5-9-27(33)20-24/h2-11,20-21H,12-19,22H2,1H3
InChIKeyGCTKLNPCQFYBOB-UHFFFAOYSA-N
XLogP7.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.99
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[2-[4-(3-chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone 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

N-[2-(3,4-Dichlorophenyl)-4-(4-hydroxy-4-phenylpiperidino)butyl]-N-methylbenzamide
CID 18964186
1''-[3-(3,4-Dichlorophenyl)-4-methyl(phenyl)carboxamidobutyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 9892984
1-(1-{3-[1-Benzoyl-3-(3,4-dichloro-phenyl)-piperidin-3-yl]-propyl}-4-phenyl-piperidin-4-yl)-ethanone
CID 10393390
1-Benzyl-5-(3,4-dichlorophenyl)-5-[2-[3-(2-phenylmorpholin-4-yl)azetidin-1-yl]ethyl]piperidin-2-one
CID 11103819
1-[2-[2-(4-Acetyl-4-phenylpiperidin-1-yl)ethyl]-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 44528700
1-[1-[2-[4-(Cyclopentanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
CID 44528701
1-[1-[2-[4-(Cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
CID 44528702
Cyclopentyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone
CID 44528703
Cyclohexyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone
CID 44528705
[2-(3,4-Dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone
CID 44528710
[2-(3,4-Dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 44528712
[2-(3,4-Dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-ethoxyphenyl)methanone
CID 44528720

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[4-(3-chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[2-[4-(3-chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone (CID 44528723) is 1-[1-[2-[4-(3-chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[2-[4-(3-chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[2-[4-(3-chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone is CC(=O)C1(c2ccccc2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3cccc(Cl)c3)CCO2)CC1.
What is the InChIKey of 1-[1-[2-[4-(3-chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone?
The InChIKey is GCTKLNPCQFYBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33Cl3N2O3/c1-23(38)31(25-7-3-2-4-8-25)12-15-36(16-13-31)17-14-32(26-10-11-28(34)29(35)21-26)22-37(18-19-40-32)30(39)24-6-5-9-27(33)20-24/h2-11,20-21H,12-19,22H2,1H3.
What are the key properties of 1-[1-[2-[4-(3-chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone?
1-[1-[2-[4-(3-chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone has a molecular weight of 599.99 g/mol, XLogP of 7.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[4-(3-chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone is sourced from PubChem (CID 44528723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).