[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)methanone

C24H39N3O6S — CID 55601246

IUPAC[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)methanone
SMILESCCCCCCOc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)cc1OC
InChIInChI=1S/C24H39N3O6S/c1-5-6-7-8-15-32-22-10-9-21(16-23(22)31-4)24(28)25-11-13-26(14-12-25)34(29,30)27-17-19(2)33-20(3)18-27/h9-10,16,19-20H,5-8,11-15,17-18H2,1-4H3
InChIKeyTXSHLVMMVAKPRB-UHFFFAOYSA-N
MW497.66 g/mol
LogP2.77
Rot. Bonds10

About [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)methanone

[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)methanone (PubChem CID 55601246) has the molecular formula C24H39N3O6S and a molecular weight of 497.66 g/mol. Its IUPAC name is [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)methanone
PubChem CID55601246
Molecular FormulaC24H39N3O6S
Molecular Weight497.66 g/mol
Exact Mass497.26
IUPAC Name[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)methanone
SMILESCCCCCCOc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)cc1OC
InChIInChI=1S/C24H39N3O6S/c1-5-6-7-8-15-32-22-10-9-21(16-23(22)31-4)24(28)25-11-13-26(14-12-25)34(29,30)27-17-19(2)33-20(3)18-27/h9-10,16,19-20H,5-8,11-15,17-18H2,1-4H3
InChIKeyTXSHLVMMVAKPRB-UHFFFAOYSA-N
XLogP2.77
TPSA88.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.66
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)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

[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 51937047
(4-hexoxy-3-methoxyphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56544785
(4-hexoxy-3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 55329457
1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496456
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 46452768
1-(4-butoxy-3-methoxybenzoyl)piperidine-4-carboxylic acid
CID 45426979
(4-hexoxy-3-methoxyphenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 55885059
(2,2-dimethylmorpholin-4-yl)-(4-hexoxy-3-methoxyphenyl)methanone
CID 55657290
(2,5-difluorophenyl)-[1-(4-hexoxy-3-methoxybenzoyl)piperidin-4-yl]methanone
CID 55748083
[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 51937054
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 55617869
2-butoxy-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 48675846

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)methanone?
The IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)methanone (CID 55601246) is [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)methanone?
The canonical SMILES for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)methanone is CCCCCCOc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)cc1OC.
What is the InChIKey of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)methanone?
The InChIKey is TXSHLVMMVAKPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O6S/c1-5-6-7-8-15-32-22-10-9-21(16-23(22)31-4)24(28)25-11-13-26(14-12-25)34(29,30)27-17-19(2)33-20(3)18-27/h9-10,16,19-20H,5-8,11-15,17-18H2,1-4H3.
What are the key properties of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)methanone?
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)methanone has a molecular weight of 497.66 g/mol, XLogP of 2.77, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-hexoxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 55601246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).