[4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone

C24H32N4O4S — CID 43922370

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(CN4CCN(S(C)(=O)=O)CC4)cc3)CC2)cc1
InChIInChI=1S/C24H32N4O4S/c1-32-23-9-7-22(8-10-23)26-13-15-27(16-14-26)24(29)21-5-3-20(4-6-21)19-25-11-17-28(18-12-25)33(2,30)31/h3-10H,11-19H2,1-2H3
InChIKeyQUGDMJNNJXJYJN-UHFFFAOYSA-N
MW472.61 g/mol
LogP1.73
Rot. Bonds6

About [4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone (PubChem CID 43922370) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone
PubChem CID43922370
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(CN4CCN(S(C)(=O)=O)CC4)cc3)CC2)cc1
InChIInChI=1S/C24H32N4O4S/c1-32-23-9-7-22(8-10-23)26-13-15-27(16-14-26)24(29)21-5-3-20(4-6-21)19-25-11-17-28(18-12-25)33(2,30)31/h3-10H,11-19H2,1-2H3
InChIKeyQUGDMJNNJXJYJN-UHFFFAOYSA-N
XLogP1.73
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 51.73
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

(4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone
CID 43924483
[4-(methoxymethyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6498957
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;oxalic acid
CID 17366074
[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 35323460
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;oxalic acid
CID 17384978
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 51292547
(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 108989482
methyl 4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoate
CID 27128637
dimethyl 2-[[4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]anilino]methylidene]propanedioate
CID 135126765
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 48981634
[4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea
CID 31730129
2-[4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetic acid;dihydrochloride
CID 139735158

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone (CID 43922370) is [4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone is COc1ccc(N2CCN(C(=O)c3ccc(CN4CCN(S(C)(=O)=O)CC4)cc3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone?
The InChIKey is QUGDMJNNJXJYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-32-23-9-7-22(8-10-23)26-13-15-27(16-14-26)24(29)21-5-3-20(4-6-21)19-25-11-17-28(18-12-25)33(2,30)31/h3-10H,11-19H2,1-2H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone has a molecular weight of 472.61 g/mol, XLogP of 1.73, 6 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-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 43922370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).