(4-chlorophenyl)-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone

C30H31Cl3N2O2 — CID 44528727

IUPAC(4-chlorophenyl)-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCOC(CCN2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C30H31Cl3N2O2/c31-26-9-6-24(7-10-26)29(36)35-18-19-37-30(21-35,25-8-11-27(32)28(33)20-25)14-17-34-15-12-23(13-16-34)22-4-2-1-3-5-22/h1-11,20,23H,12-19,21H2
InChIKeyFXYIXDRALCQPTK-UHFFFAOYSA-N
MW557.95 g/mol
LogP7.28
Rot. Bonds6

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

(4-chlorophenyl)-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone (PubChem CID 44528727) has the molecular formula C30H31Cl3N2O2 and a molecular weight of 557.95 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone
PubChem CID44528727
Molecular FormulaC30H31Cl3N2O2
Molecular Weight557.95 g/mol
Exact Mass556.15
IUPAC Name(4-chlorophenyl)-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCOC(CCN2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C30H31Cl3N2O2/c31-26-9-6-24(7-10-26)29(36)35-18-19-37-30(21-35,25-8-11-27(32)28(33)20-25)14-17-34-15-12-23(13-16-34)22-4-2-1-3-5-22/h1-11,20,23H,12-19,21H2
InChIKeyFXYIXDRALCQPTK-UHFFFAOYSA-N
XLogP7.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.95
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
4-[1-[(3-Chlorophenyl)methoxy]-3-phenylpropan-2-yl]-1-(3,4-dichlorobenzoyl)-1,4-diazepan-5-one
CID 6099523
1-(3,4-Dichlorobenzoyl)-4-[1-[(3-methylphenyl)methoxy]-3-phenylpropan-2-yl]-1,4-diazepan-5-one
CID 6099555
4-[1-[(4-Chlorophenyl)methoxy]-3-phenylpropan-2-yl]-1-(3,4-dichlorobenzoyl)-1,4-diazepan-5-one
CID 6099892
1-Benzyl-5-(3,4-dichlorophenyl)-5-[2-[3-(2-phenylmorpholin-4-yl)azetidin-1-yl]ethyl]piperidin-2-one
CID 11103819
1-(3,4-dichlorobenzoyl)-4-[(2S)-1-[(3-methylphenyl)methoxy]-3-phenylpropan-2-yl]-1,4-diazepan-5-one
CID 25010911
N-[1-[2-[4-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 44528699
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

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone (CID 44528727) is (4-chlorophenyl)-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCOC(CCN2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (4-chlorophenyl)-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone?
The InChIKey is FXYIXDRALCQPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31Cl3N2O2/c31-26-9-6-24(7-10-26)29(36)35-18-19-37-30(21-35,25-8-11-27(32)28(33)20-25)14-17-34-15-12-23(13-16-34)22-4-2-1-3-5-22/h1-11,20,23H,12-19,21H2.
What are the key properties of (4-chlorophenyl)-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone?
(4-chlorophenyl)-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone has a molecular weight of 557.95 g/mol, XLogP of 7.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone is sourced from PubChem (CID 44528727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).