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

C30H30Cl2F2N2O2 — CID 44528713

IUPAC[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCOC(CCN2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C30H30Cl2F2N2O2/c31-25-8-7-24(19-26(25)32)30(12-15-35-13-10-22(11-14-35)21-4-2-1-3-5-21)20-36(16-17-38-30)29(37)23-6-9-27(33)28(34)18-23/h1-9,18-19,22H,10-17,20H2
InChIKeyHRHBIBJJCOSFBP-UHFFFAOYSA-N
MW559.48 g/mol
LogP6.91
Rot. Bonds6

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

[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,4-difluorophenyl)methanone (PubChem CID 44528713) has the molecular formula C30H30Cl2F2N2O2 and a molecular weight of 559.48 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,4-difluorophenyl)methanone
PubChem CID44528713
Molecular FormulaC30H30Cl2F2N2O2
Molecular Weight559.48 g/mol
Exact Mass558.17
IUPAC Name[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCOC(CCN2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C30H30Cl2F2N2O2/c31-25-8-7-24(19-26(25)32)30(12-15-35-13-10-22(11-14-35)21-4-2-1-3-5-21)20-36(16-17-38-30)29(37)23-6-9-27(33)28(34)18-23/h1-9,18-19,22H,10-17,20H2
InChIKeyHRHBIBJJCOSFBP-UHFFFAOYSA-N
XLogP6.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.48
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,4-difluorophenyl)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]-(3,4-difluorophenyl)methanone?
The IUPAC name of [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,4-difluorophenyl)methanone (CID 44528713) is [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,4-difluorophenyl)methanone.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,4-difluorophenyl)methanone?
The canonical SMILES for [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,4-difluorophenyl)methanone is O=C(c1ccc(F)c(F)c1)N1CCOC(CCN2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,4-difluorophenyl)methanone?
The InChIKey is HRHBIBJJCOSFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Cl2F2N2O2/c31-25-8-7-24(19-26(25)32)30(12-15-35-13-10-22(11-14-35)21-4-2-1-3-5-21)20-36(16-17-38-30)29(37)23-6-9-27(33)28(34)18-23/h1-9,18-19,22H,10-17,20H2.
What are the key properties of [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,4-difluorophenyl)methanone?
[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3,4-difluorophenyl)methanone has a molecular weight of 559.48 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 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]-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 44528713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).