(2,4-difluorophenyl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone

C22H24F3N3O2 — CID 42849221

IUPAC(2,4-difluorophenyl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCOC(CN2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C22H24F3N3O2/c23-16-1-4-18(5-2-16)27-9-7-26(8-10-27)14-19-15-28(11-12-30-19)22(29)20-6-3-17(24)13-21(20)25/h1-6,13,19H,7-12,14-15H2
InChIKeyABAOWWJDLLKQCV-UHFFFAOYSA-N
MW419.45 g/mol
LogP2.77
Rot. Bonds4

About (2,4-difluorophenyl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone

(2,4-difluorophenyl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone (PubChem CID 42849221) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
PubChem CID42849221
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Name(2,4-difluorophenyl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCOC(CN2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C22H24F3N3O2/c23-16-1-4-18(5-2-16)27-9-7-26(8-10-27)14-19-15-28(11-12-30-19)22(29)20-6-3-17(24)13-21(20)25/h1-6,13,19H,7-12,14-15H2
InChIKeyABAOWWJDLLKQCV-UHFFFAOYSA-N
XLogP2.77
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,4-difluorophenyl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

cyclopropyl-[(2R)-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 92988035
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(2,4-difluorophenyl)methanone
CID 71955615
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 46059905
4-(2,4-difluorobenzoyl)morpholine-2-carbothioamide
CID 79674395
[2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 42861811
[2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone
CID 81211544
N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 42861770
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 46059920
[4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42861807
(2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562755
N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide
CID 42861726
N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide
CID 42861711

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone (CID 42849221) is (2,4-difluorophenyl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone is O=C(c1ccc(F)cc1F)N1CCOC(CN2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of (2,4-difluorophenyl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone?
The InChIKey is ABAOWWJDLLKQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c23-16-1-4-18(5-2-16)27-9-7-26(8-10-27)14-19-15-28(11-12-30-19)22(29)20-6-3-17(24)13-21(20)25/h1-6,13,19H,7-12,14-15H2.
What are the key properties of (2,4-difluorophenyl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone?
(2,4-difluorophenyl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone has a molecular weight of 419.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 42849221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).