6-(3,4-dichlorophenyl)-6-[2-(4-hydroxy-2-oxo-4-phenylpiperidin-1-yl)ethyl]-4-[(4-phenylphenyl)methyl]morpholin-3-one;hydrate;hydrochloride

C36H37Cl3N2O5 — CID 70186280

IUPAC6-(3,4-dichlorophenyl)-6-[2-(4-hydroxy-2-oxo-4-phenylpiperidin-1-yl)ethyl]-4-[(4-phenylphenyl)methyl]morpholin-3-one;hydrate;hydrochloride
SMILESCl.O.O=C1CC(O)(c2ccccc2)CCN1CCC1(c2ccc(Cl)c(Cl)c2)CN(Cc2ccc(-c3ccccc3)cc2)C(=O)CO1
InChIInChI=1S/C36H34Cl2N2O4.ClH.H2O/c37-31-16-15-30(21-32(31)38)36(18-20-39-19-17-35(43,22-33(39)41)29-9-5-2-6-10-29)25-40(34(42)24-44-36)23-26-11-13-28(14-12-26)27-7-3-1-4-8-27;;/h1-16,21,43H,17-20,22-25H2;1H;1H2
InChIKeyIYMYKVHIMOHWFV-UHFFFAOYSA-N
MW684.06 g/mol
LogP6.41
Rot. Bonds8

About 6-(3,4-dichlorophenyl)-6-[2-(4-hydroxy-2-oxo-4-phenylpiperidin-1-yl)ethyl]-4-[(4-phenylphenyl)methyl]morpholin-3-one;hydrate;hydrochloride

6-(3,4-dichlorophenyl)-6-[2-(4-hydroxy-2-oxo-4-phenylpiperidin-1-yl)ethyl]-4-[(4-phenylphenyl)methyl]morpholin-3-one;hydrate;hydrochloride (PubChem CID 70186280) has the molecular formula C36H37Cl3N2O5 and a molecular weight of 684.06 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-6-[2-(4-hydroxy-2-oxo-4-phenylpiperidin-1-yl)ethyl]-4-[(4-phenylphenyl)methyl]morpholin-3-one;hydrate;hydrochloride.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-6-[2-(4-hydroxy-2-oxo-4-phenylpiperidin-1-yl)ethyl]-4-[(4-phenylphenyl)methyl]morpholin-3-one;hydrate;hydrochloride
PubChem CID70186280
Molecular FormulaC36H37Cl3N2O5
Molecular Weight684.06 g/mol
Exact Mass682.18
IUPAC Name6-(3,4-dichlorophenyl)-6-[2-(4-hydroxy-2-oxo-4-phenylpiperidin-1-yl)ethyl]-4-[(4-phenylphenyl)methyl]morpholin-3-one;hydrate;hydrochloride
SMILESCl.O.O=C1CC(O)(c2ccccc2)CCN1CCC1(c2ccc(Cl)c(Cl)c2)CN(Cc2ccc(-c3ccccc3)cc2)C(=O)CO1
InChIInChI=1S/C36H34Cl2N2O4.ClH.H2O/c37-31-16-15-30(21-32(31)38)36(18-20-39-19-17-35(43,22-33(39)41)29-9-5-2-6-10-29)25-40(34(42)24-44-36)23-26-11-13-28(14-12-26)27-7-3-1-4-8-27;;/h1-16,21,43H,17-20,22-25H2;1H;1H2
InChIKeyIYMYKVHIMOHWFV-UHFFFAOYSA-N
XLogP6.41
TPSA101.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.06
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,4-dichlorophenyl)-6-[2-(4-hydroxy-2-oxo-4-phenylpiperidin-1-yl)ethyl]-4-[(4-phenylphenyl)methyl]morpholin-3-one;hydrate;hydrochloride 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

4-benzyl-6-(3,4-dichlorophenyl)-6-[2-[4-phenyl-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]morpholin-3-one;hydrate;hydrochloride
CID 21200511
2-[4-benzyl-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl methanesulfonate
CID 19591389
6-(3,4-dichlorophenyl)-6-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one
CID 67012516
3-benzyl-5-(3,4-dichlorophenyl)-5-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-oxazinan-2-one;hydrate;hydrochloride
CID 70181106
1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide
CID 54112515
N-[1-[2-[4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide
CID 67013731
4-benzyl-6-(3,4-dichlorophenyl)-6-ethyl-2-[4-phenyl-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]morpholin-3-one;hydrate;hydrochloride
CID 67565293
N-[1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide;hydrate;hydrochloride
CID 21200580
1-benzyl-5-(3,4-dichlorophenyl)-5-[2-(4-hydroxy-4-phenylpiperidin-2-yl)ethyl]piperidin-2-one
CID 139678222
6-(3,4-dichlorophenyl)-6-[2-[4-(3-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one
CID 68829209
N-[1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride
CID 19692485
bis(1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3,4-dichlorophenyl)-4-[2-(4-phenylpiperidin-1-yl)ethyl]pyrrolidin-2-one);hydrate;dihydrochloride
CID 131721073

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-6-[2-(4-hydroxy-2-oxo-4-phenylpiperidin-1-yl)ethyl]-4-[(4-phenylphenyl)methyl]morpholin-3-one;hydrate;hydrochloride?
The IUPAC name of 6-(3,4-dichlorophenyl)-6-[2-(4-hydroxy-2-oxo-4-phenylpiperidin-1-yl)ethyl]-4-[(4-phenylphenyl)methyl]morpholin-3-one;hydrate;hydrochloride (CID 70186280) is 6-(3,4-dichlorophenyl)-6-[2-(4-hydroxy-2-oxo-4-phenylpiperidin-1-yl)ethyl]-4-[(4-phenylphenyl)methyl]morpholin-3-one;hydrate;hydrochloride.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-6-[2-(4-hydroxy-2-oxo-4-phenylpiperidin-1-yl)ethyl]-4-[(4-phenylphenyl)methyl]morpholin-3-one;hydrate;hydrochloride?
The canonical SMILES for 6-(3,4-dichlorophenyl)-6-[2-(4-hydroxy-2-oxo-4-phenylpiperidin-1-yl)ethyl]-4-[(4-phenylphenyl)methyl]morpholin-3-one;hydrate;hydrochloride is Cl.O.O=C1CC(O)(c2ccccc2)CCN1CCC1(c2ccc(Cl)c(Cl)c2)CN(Cc2ccc(-c3ccccc3)cc2)C(=O)CO1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-6-[2-(4-hydroxy-2-oxo-4-phenylpiperidin-1-yl)ethyl]-4-[(4-phenylphenyl)methyl]morpholin-3-one;hydrate;hydrochloride?
The InChIKey is IYMYKVHIMOHWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34Cl2N2O4.ClH.H2O/c37-31-16-15-30(21-32(31)38)36(18-20-39-19-17-35(43,22-33(39)41)29-9-5-2-6-10-29)25-40(34(42)24-44-36)23-26-11-13-28(14-12-26)27-7-3-1-4-8-27;;/h1-16,21,43H,17-20,22-25H2;1H;1H2.
What are the key properties of 6-(3,4-dichlorophenyl)-6-[2-(4-hydroxy-2-oxo-4-phenylpiperidin-1-yl)ethyl]-4-[(4-phenylphenyl)methyl]morpholin-3-one;hydrate;hydrochloride?
6-(3,4-dichlorophenyl)-6-[2-(4-hydroxy-2-oxo-4-phenylpiperidin-1-yl)ethyl]-4-[(4-phenylphenyl)methyl]morpholin-3-one;hydrate;hydrochloride has a molecular weight of 684.06 g/mol, XLogP of 6.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-6-[2-(4-hydroxy-2-oxo-4-phenylpiperidin-1-yl)ethyl]-4-[(4-phenylphenyl)methyl]morpholin-3-one;hydrate;hydrochloride is sourced from PubChem (CID 70186280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).