[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,5-dimethoxyphenyl)methanone

C32H36Cl2N2O4 — CID 44528724

IUPAC[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCOC(CCN3CCC(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1
InChIInChI=1S/C32H36Cl2N2O4/c1-38-27-18-25(19-28(21-27)39-2)31(37)36-16-17-40-32(22-36,26-8-9-29(33)30(34)20-26)12-15-35-13-10-24(11-14-35)23-6-4-3-5-7-23/h3-9,18-21,24H,10-17,22H2,1-2H3
InChIKeyMFSAONLAIVFRNU-UHFFFAOYSA-N
MW583.56 g/mol
LogP6.65
Rot. Bonds8

About [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,5-dimethoxyphenyl)methanone

[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,5-dimethoxyphenyl)methanone (PubChem CID 44528724) has the molecular formula C32H36Cl2N2O4 and a molecular weight of 583.56 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,5-dimethoxyphenyl)methanone
PubChem CID44528724
Molecular FormulaC32H36Cl2N2O4
Molecular Weight583.56 g/mol
Exact Mass582.21
IUPAC Name[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCOC(CCN3CCC(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1
InChIInChI=1S/C32H36Cl2N2O4/c1-38-27-18-25(19-28(21-27)39-2)31(37)36-16-17-40-32(22-36,26-8-9-29(33)30(34)20-26)12-15-35-13-10-24(11-14-35)23-6-4-3-5-7-23/h3-9,18-21,24H,10-17,22H2,1-2H3
InChIKeyMFSAONLAIVFRNU-UHFFFAOYSA-N
XLogP6.65
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.56
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,5-dimethoxyphenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,5-dimethoxyphenyl)methanone (CID 44528724) is [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(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]-(3,5-dimethoxyphenyl)methanone?
The InChIKey is MFSAONLAIVFRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36Cl2N2O4/c1-38-27-18-25(19-28(21-27)39-2)31(37)36-16-17-40-32(22-36,26-8-9-29(33)30(34)20-26)12-15-35-13-10-24(11-14-35)23-6-4-3-5-7-23/h3-9,18-21,24H,10-17,22H2,1-2H3.
What are the key properties of [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,5-dimethoxyphenyl)methanone?
[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,5-dimethoxyphenyl)methanone has a molecular weight of 583.56 g/mol, XLogP of 6.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 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]-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 44528724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).