[4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone

C24H28FN3O3 — CID 42861807

IUPAC[4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(CC3CN(C(=O)c4cccc(F)c4)CCO3)CC2)cc1
InChIInChI=1S/C24H28FN3O3/c1-18-5-7-19(8-6-18)23(29)27-11-9-26(10-12-27)16-22-17-28(13-14-31-22)24(30)20-3-2-4-21(25)15-20/h2-8,15,22H,9-14,16-17H2,1H3
InChIKeyRBDOPHQKTDBFSA-UHFFFAOYSA-N
MW425.50 g/mol
LogP2.43
Rot. Bonds4

About [4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone

[4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 42861807) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is [4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID42861807
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name[4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(CC3CN(C(=O)c4cccc(F)c4)CCO3)CC2)cc1
InChIInChI=1S/C24H28FN3O3/c1-18-5-7-19(8-6-18)23(29)27-11-9-26(10-12-27)16-22-17-28(13-14-31-22)24(30)20-3-2-4-21(25)15-20/h2-8,15,22H,9-14,16-17H2,1H3
InChIKeyRBDOPHQKTDBFSA-UHFFFAOYSA-N
XLogP2.43
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)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

[2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 42861811
(3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 92988161
(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 93327921
[4-[[(2S)-4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 92989684
(3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42861839
1,3-benzodioxol-5-yl-[2-[[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 46059832
[4-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 42861799
(4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42861858
(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone
CID 93336807
[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 93327745
(4-methylphenyl)-[4-[[(2S)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone
CID 92989700
(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073665

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone (CID 42861807) is [4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(CC3CN(C(=O)c4cccc(F)c4)CCO3)CC2)cc1.
What is the InChIKey of [4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is RBDOPHQKTDBFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-18-5-7-19(8-6-18)23(29)27-11-9-26(10-12-27)16-22-17-28(13-14-31-22)24(30)20-3-2-4-21(25)15-20/h2-8,15,22H,9-14,16-17H2,1H3.
What are the key properties of [4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone?
[4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 425.50 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 42861807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).