[4-[[4-(4-fluorophenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

C23H28FN3O5S — CID 42862586

IUPAC[4-[[4-(4-fluorophenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(CC3CN(S(=O)(=O)c4ccc(F)cc4)CCO3)CC2)c1
InChIInChI=1S/C23H28FN3O5S/c1-31-20-4-2-3-18(15-20)23(28)26-11-9-25(10-12-26)16-21-17-27(13-14-32-21)33(29,30)22-7-5-19(24)6-8-22/h2-8,15,21H,9-14,16-17H2,1H3
InChIKeyFGGBOXSOUGVEPM-UHFFFAOYSA-N
MW477.56 g/mol
LogP1.68
Rot. Bonds6

About [4-[[4-(4-fluorophenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

[4-[[4-(4-fluorophenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 42862586) has the molecular formula C23H28FN3O5S and a molecular weight of 477.56 g/mol. Its IUPAC name is [4-[[4-(4-fluorophenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[[4-(4-fluorophenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID42862586
Molecular FormulaC23H28FN3O5S
Molecular Weight477.56 g/mol
Exact Mass477.17
IUPAC Name[4-[[4-(4-fluorophenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(CC3CN(S(=O)(=O)c4ccc(F)cc4)CCO3)CC2)c1
InChIInChI=1S/C23H28FN3O5S/c1-31-20-4-2-3-18(15-20)23(28)26-11-9-25(10-12-26)16-21-17-27(13-14-32-21)33(29,30)22-7-5-19(24)6-8-22/h2-8,15,21H,9-14,16-17H2,1H3
InChIKeyFGGBOXSOUGVEPM-UHFFFAOYSA-N
XLogP1.68
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[[4-(4-fluorophenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone with MolForge

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Related Compounds

[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone;oxalic acid
CID 126477329
[4-[[4-(3-fluoro-4-methylphenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 42862587
(3-methoxyphenyl)-[4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone
CID 42862438
2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 42862621
[4-(3-fluoro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 39634194
(3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 92988161
1-[2-[[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]morpholin-4-yl]-2-phenoxyethanone
CID 46059870
N-benzyl-2-[[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide
CID 46060441
(3-methoxyphenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26778551
[4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 30872670
[4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42861807
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(4-fluorophenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-[[4-(4-fluorophenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone (CID 42862586) is [4-[[4-(4-fluorophenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-[[4-(4-fluorophenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-[[4-(4-fluorophenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCN(CC3CN(S(=O)(=O)c4ccc(F)cc4)CCO3)CC2)c1.
What is the InChIKey of [4-[[4-(4-fluorophenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is FGGBOXSOUGVEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O5S/c1-31-20-4-2-3-18(15-20)23(28)26-11-9-25(10-12-26)16-21-17-27(13-14-32-21)33(29,30)22-7-5-19(24)6-8-22/h2-8,15,21H,9-14,16-17H2,1H3.
What are the key properties of [4-[[4-(4-fluorophenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
[4-[[4-(4-fluorophenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 477.56 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(4-fluorophenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 42862586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).