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

C19H22N2O4S — CID 31301024

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C19H22N2O4S/c1-25-17-9-5-4-8-16(17)20-11-13-21(14-12-20)19(22)15-7-3-6-10-18(15)26(2,23)24/h3-10H,11-14H2,1-2H3
InChIKeyJBTKWDQGRKUZCP-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.06
Rot. Bonds4

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

[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone (PubChem CID 31301024) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone
PubChem CID31301024
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C19H22N2O4S/c1-25-17-9-5-4-8-16(17)20-11-13-21(14-12-20)19(22)15-7-3-6-10-18(15)26(2,23)24/h3-10H,11-14H2,1-2H3
InChIKeyJBTKWDQGRKUZCP-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

[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
N-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 1108322
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 26534443
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 17224606
[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 31305883
[4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone
CID 2977123
4-bromo-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26534473
[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113077894
(1,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 51309191
(2-bromo-4-fluorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9033985
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone
CID 9034036

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone (CID 31301024) is [4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone is COc1ccccc1N1CCN(C(=O)c2ccccc2S(C)(=O)=O)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone?
The InChIKey is JBTKWDQGRKUZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-25-17-9-5-4-8-16(17)20-11-13-21(14-12-20)19(22)15-7-3-6-10-18(15)26(2,23)24/h3-10H,11-14H2,1-2H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-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]-(2-methylsulfonylphenyl)methanone is sourced from PubChem (CID 31301024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).