(3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone

C26H32FN3O6 — CID 92988161

IUPAC(3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C[C@@H]3CN(C(=O)c4cccc(F)c4)CCO3)CC2)cc(OC)c1OC
InChIInChI=1S/C26H32FN3O6/c1-33-22-14-19(15-23(34-2)24(22)35-3)26(32)29-9-7-28(8-10-29)16-21-17-30(11-12-36-21)25(31)18-5-4-6-20(27)13-18/h4-6,13-15,21H,7-12,16-17H2,1-3H3/t21-/m1/s1
InChIKeyJZIHGNAIORJNDK-OAQYLSRUSA-N
MW501.56 g/mol
LogP2.15
Rot. Bonds7

About (3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone

(3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone (PubChem CID 92988161) has the molecular formula C26H32FN3O6 and a molecular weight of 501.56 g/mol. Its IUPAC name is (3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
PubChem CID92988161
Molecular FormulaC26H32FN3O6
Molecular Weight501.56 g/mol
Exact Mass501.23
IUPAC Name(3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C[C@@H]3CN(C(=O)c4cccc(F)c4)CCO3)CC2)cc(OC)c1OC
InChIInChI=1S/C26H32FN3O6/c1-33-22-14-19(15-23(34-2)24(22)35-3)26(32)29-9-7-28(8-10-29)16-21-17-30(11-12-36-21)25(31)18-5-4-6-20(27)13-18/h4-6,13-15,21H,7-12,16-17H2,1-3H3/t21-/m1/s1
InChIKeyJZIHGNAIORJNDK-OAQYLSRUSA-N
XLogP2.15
TPSA80.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.56
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

(3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42861839
[4-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46060337
[4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42861807
(3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 45238113
[4-[[4-(furan-3-ylmethyl)morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46060338
1,3-benzodioxol-5-yl-[2-[[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 46059832
[4-[[4-(3-fluoro-4-methylphenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 42862587
(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 93327921
[4-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 42862306
(3-fluorophenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366596
(3,4-dimethoxyphenyl)-[4-[[(2S)-4-(2-methylbenzoyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 93338476
1-[2-[[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]morpholin-4-yl]-2-phenoxyethanone
CID 46059870

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone (CID 92988161) is (3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone is COc1cc(C(=O)N2CCN(C[C@@H]3CN(C(=O)c4cccc(F)c4)CCO3)CC2)cc(OC)c1OC.
What is the InChIKey of (3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone?
The InChIKey is JZIHGNAIORJNDK-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H32FN3O6/c1-33-22-14-19(15-23(34-2)24(22)35-3)26(32)29-9-7-28(8-10-29)16-21-17-30(11-12-36-21)25(31)18-5-4-6-20(27)13-18/h4-6,13-15,21H,7-12,16-17H2,1-3H3/t21-/m1/s1.
What are the key properties of (3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone?
(3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone has a molecular weight of 501.56 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 92988161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).