[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone

C19H22N2O4S — CID 26534443

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C19H22N2O4S/c1-25-18-9-4-3-8-17(18)20-10-12-21(13-11-20)19(22)15-6-5-7-16(14-15)26(2,23)24/h3-9,14H,10-13H2,1-2H3
InChIKeyBAUIDUXXLDKKKG-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.06
Rot. Bonds4

About [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone (PubChem CID 26534443) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
PubChem CID26534443
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C19H22N2O4S/c1-25-18-9-4-3-8-17(18)20-10-12-21(13-11-20)19(22)15-6-5-7-16(14-15)26(2,23)24/h3-9,14H,10-13H2,1-2H3
InChIKeyBAUIDUXXLDKKKG-UHFFFAOYSA-N
XLogP2.06
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 2597934
N-(4-tert-butylphenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 53257717
(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113199237
1-[2-fluoro-6-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 133314802
1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9335620
(3,5-dichloro-4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9034132
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 31301024
[3-(2-methoxyanilino)sulfanylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 146231616
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
2,3-dihydro-1H-inden-5-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9118183
[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 46054196
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9415328

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone (CID 26534443) is [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone is COc1ccccc1N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone?
The InChIKey is BAUIDUXXLDKKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-25-18-9-4-3-8-17(18)20-10-12-21(13-11-20)19(22)15-6-5-7-16(14-15)26(2,23)24/h3-9,14H,10-13H2,1-2H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone has a molecular weight of 374.46 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 26534443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).