2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone

C24H27ClFN3O4 — CID 92988117

IUPAC2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCO[C@H](CN2CCN(C(=O)c3ccccc3F)CC2)C1
InChIInChI=1S/C24H27ClFN3O4/c25-18-5-7-19(8-6-18)33-17-23(30)29-13-14-32-20(16-29)15-27-9-11-28(12-10-27)24(31)21-3-1-2-4-22(21)26/h1-8,20H,9-17H2/t20-/m1/s1
InChIKeyUTGIAVXYKNPMNS-HXUWFJFHSA-N
MW475.95 g/mol
LogP2.54
Rot. Bonds6

About 2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone

2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone (PubChem CID 92988117) has the molecular formula C24H27ClFN3O4 and a molecular weight of 475.95 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
PubChem CID92988117
Molecular FormulaC24H27ClFN3O4
Molecular Weight475.95 g/mol
Exact Mass475.17
IUPAC Name2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCO[C@H](CN2CCN(C(=O)c3ccccc3F)CC2)C1
InChIInChI=1S/C24H27ClFN3O4/c25-18-5-7-19(8-6-18)33-17-23(30)29-13-14-32-20(16-29)15-27-9-11-28(12-10-27)24(31)21-3-1-2-4-22(21)26/h1-8,20H,9-17H2/t20-/m1/s1
InChIKeyUTGIAVXYKNPMNS-HXUWFJFHSA-N
XLogP2.54
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.95
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone with MolForge

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Related Compounds

[2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 42861811
1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone
CID 42252620
(2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone
CID 42861815
(4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42861858
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
[4-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 42861799
1-[2-[[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]morpholin-4-yl]-2-phenoxyethanone
CID 46059870
2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46041076
2-(4-methoxyphenyl)-1-[4-[[4-(2-phenoxyacetyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 42861902
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 42861508
[(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone
CID 42252423

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone (CID 92988117) is 2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone is O=C(COc1ccc(Cl)cc1)N1CCO[C@H](CN2CCN(C(=O)c3ccccc3F)CC2)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone?
The InChIKey is UTGIAVXYKNPMNS-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27ClFN3O4/c25-18-5-7-19(8-6-18)33-17-23(30)29-13-14-32-20(16-29)15-27-9-11-28(12-10-27)24(31)21-3-1-2-4-22(21)26/h1-8,20H,9-17H2/t20-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone?
2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone has a molecular weight of 475.95 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 92988117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).