5-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one

C27H32Cl2FN3O2 — CID 11135103

IUPAC5-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
SMILESO=C1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C27H32Cl2FN3O2/c28-24-6-3-21(15-25(24)29)27(9-10-31-17-23(18-31)32-11-13-35-14-12-32)8-7-26(34)33(19-27)16-20-1-4-22(30)5-2-20/h1-6,15,23H,7-14,16-19H2
InChIKeyAALWUTFIDZBLOW-UHFFFAOYSA-N
MW520.48 g/mol
LogP4.60
Rot. Bonds7

About 5-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one

5-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one (PubChem CID 11135103) has the molecular formula C27H32Cl2FN3O2 and a molecular weight of 520.48 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
PubChem CID11135103
Molecular FormulaC27H32Cl2FN3O2
Molecular Weight520.48 g/mol
Exact Mass519.19
IUPAC Name5-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
SMILESO=C1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C27H32Cl2FN3O2/c28-24-6-3-21(15-25(24)29)27(9-10-31-17-23(18-31)32-11-13-35-14-12-32)8-7-26(34)33(19-27)16-20-1-4-22(30)5-2-20/h1-6,15,23H,7-14,16-19H2
InChIKeyAALWUTFIDZBLOW-UHFFFAOYSA-N
XLogP4.60
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.48
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one 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 5-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one?
The IUPAC name of 5-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one (CID 11135103) is 5-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one is O=C1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccc(F)cc1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one?
The InChIKey is AALWUTFIDZBLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Cl2FN3O2/c28-24-6-3-21(15-25(24)29)27(9-10-31-17-23(18-31)32-11-13-35-14-12-32)8-7-26(34)33(19-27)16-20-1-4-22(30)5-2-20/h1-6,15,23H,7-14,16-19H2.
What are the key properties of 5-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one?
5-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one has a molecular weight of 520.48 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one is sourced from PubChem (CID 11135103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).