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

C31H34Cl2N2O3 — CID 44528712

IUPAC[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCOC(CCN3CCC(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1
InChIInChI=1S/C31H34Cl2N2O3/c1-37-27-9-5-8-25(20-27)30(36)35-18-19-38-31(22-35,26-10-11-28(32)29(33)21-26)14-17-34-15-12-24(13-16-34)23-6-3-2-4-7-23/h2-11,20-21,24H,12-19,22H2,1H3
InChIKeyLLWKPNOAUJXXAA-UHFFFAOYSA-N
MW553.53 g/mol
LogP6.64
Rot. Bonds7

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

[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3-methoxyphenyl)methanone (PubChem CID 44528712) has the molecular formula C31H34Cl2N2O3 and a molecular weight of 553.53 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
PubChem CID44528712
Molecular FormulaC31H34Cl2N2O3
Molecular Weight553.53 g/mol
Exact Mass552.19
IUPAC Name[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCOC(CCN3CCC(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1
InChIInChI=1S/C31H34Cl2N2O3/c1-37-27-9-5-8-25(20-27)30(36)35-18-19-38-31(22-35,26-10-11-28(32)29(33)21-26)14-17-34-15-12-24(13-16-34)23-6-3-2-4-7-23/h2-11,20-21,24H,12-19,22H2,1H3
InChIKeyLLWKPNOAUJXXAA-UHFFFAOYSA-N
XLogP6.64
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.53
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

YM49598
CID 10327625
[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]-(4-ethoxyphenyl)methanone
CID 44528720
1-[1-[2-[4-(3-Chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
CID 44528723
[2-(3,4-Dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,5-dimethoxyphenyl)methanone
CID 44528724
(4-Chlorophenyl)-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone
CID 44528727
[2-[2-[4-(4-Chlorophenyl)piperidin-1-yl]ethyl]-2-(3,4-dichlorophenyl)morpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 44528986
[2-(3,4-Dichlorophenyl)-2-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]morpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 44528988
N-[2-(3,4-Dichloro-phenyl)-4-(4-ethoxy-4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzamide
CID 44384522
1-[2-[3-(3,4-Dichloro-phenyl)-1-(3-methoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-phenyl-piperidine-4-carboxylic acid amide
CID 44384902
(E)-3-(3,4-dichlorophenyl)-1-(4-((4-(3-methoxyphenyl)piperidin-1-yl)methyl)piperidin-1-yl)prop-2-en-1-one
CID 44444098
3-[2-(3,4-Dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine-4-carbonyl]benzonitrile
CID 44528711

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3-methoxyphenyl)methanone (CID 44528712) is [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCOC(CCN3CCC(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1.
What is the InChIKey of [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3-methoxyphenyl)methanone?
The InChIKey is LLWKPNOAUJXXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34Cl2N2O3/c1-37-27-9-5-8-25(20-27)30(36)35-18-19-38-31(22-35,26-10-11-28(32)29(33)21-26)14-17-34-15-12-24(13-16-34)23-6-3-2-4-7-23/h2-11,20-21,24H,12-19,22H2,1H3.
What are the key properties of [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3-methoxyphenyl)methanone?
[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3-methoxyphenyl)methanone has a molecular weight of 553.53 g/mol, XLogP of 6.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 44528712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).