[4-(4-methoxyphenyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

C22H27N3O5S — CID 647493

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1
InChIInChI=1S/C22H27N3O5S/c1-29-20-6-4-19(5-7-20)23-10-12-24(13-11-23)22(26)18-2-8-21(9-3-18)31(27,28)25-14-16-30-17-15-25/h2-9H,10-17H2,1H3
InChIKeyLBSPLINHKANYAF-UHFFFAOYSA-N
MW445.54 g/mol
LogP1.68
Rot. Bonds5

About [4-(4-methoxyphenyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 647493) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID647493
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1
InChIInChI=1S/C22H27N3O5S/c1-29-20-6-4-19(5-7-20)23-10-12-24(13-11-23)22(26)18-2-8-21(9-3-18)31(27,28)25-14-16-30-17-15-25/h2-9H,10-17H2,1H3
InChIKeyLBSPLINHKANYAF-UHFFFAOYSA-N
XLogP1.68
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-{4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl}4-{[4-(methylsulfonyl)phenyl]carbonyl}piperazine
CID 11533362
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-Furan-2-ylmethyl-4-[4-(4-methoxy-phenyl)-piperazine-1-sulfonyl]-benzamide
CID 652023
1-[4-(1-Cyclopentylpiperidin-4-yl)oxyphenyl]-4-(4-methylsulfonylbenzoyl)piperazin-2-one;formic acid
CID 24749294
2-[6-[4-(2-Methoxyphenyl)piperazin-1-yl]hexyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 155554326
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
[3-(2,3-Dihydroindol-1-ylsulfonyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 2492468
4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 4789238
2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4839884
3-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide;hydrochloride
CID 16239406
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 42601204
4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 1277944

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone (CID 647493) is [4-(4-methoxyphenyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone is COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is LBSPLINHKANYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-29-20-6-4-19(5-7-20)23-10-12-24(13-11-23)22(26)18-2-8-21(9-3-18)31(27,28)25-14-16-30-17-15-25/h2-9H,10-17H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 445.54 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 647493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).