1-[[1-(4-ethenylphenyl)sulfonylpiperidin-4-yl]methyl]-4-(2-methoxyphenyl)piperazine

C25H33N3O3S — CID 149281042

IUPAC1-[[1-(4-ethenylphenyl)sulfonylpiperidin-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESC=Cc1ccc(S(=O)(=O)N2CCC(CN3CCN(c4ccccc4OC)CC3)CC2)cc1
InChIInChI=1S/C25H33N3O3S/c1-3-21-8-10-23(11-9-21)32(29,30)28-14-12-22(13-15-28)20-26-16-18-27(19-17-26)24-6-4-5-7-25(24)31-2/h3-11,22H,1,12-20H2,2H3
InChIKeyXSYNJNJWXQHGJI-UHFFFAOYSA-N
MW455.62 g/mol
LogP3.56
Rot. Bonds7

About 1-[[1-(4-ethenylphenyl)sulfonylpiperidin-4-yl]methyl]-4-(2-methoxyphenyl)piperazine

1-[[1-(4-ethenylphenyl)sulfonylpiperidin-4-yl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 149281042) has the molecular formula C25H33N3O3S and a molecular weight of 455.62 g/mol. Its IUPAC name is 1-[[1-(4-ethenylphenyl)sulfonylpiperidin-4-yl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[1-(4-ethenylphenyl)sulfonylpiperidin-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID149281042
Molecular FormulaC25H33N3O3S
Molecular Weight455.62 g/mol
Exact Mass455.22
IUPAC Name1-[[1-(4-ethenylphenyl)sulfonylpiperidin-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESC=Cc1ccc(S(=O)(=O)N2CCC(CN3CCN(c4ccccc4OC)CC3)CC2)cc1
InChIInChI=1S/C25H33N3O3S/c1-3-21-8-10-23(11-9-21)32(29,30)28-14-12-22(13-15-28)20-26-16-18-27(19-17-26)24-6-4-5-7-25(24)31-2/h3-11,22H,1,12-20H2,2H3
InChIKeyXSYNJNJWXQHGJI-UHFFFAOYSA-N
XLogP3.56
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.62
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(4-ethenylphenyl)sulfonylpiperidin-4-yl]methyl]-4-(2-methoxyphenyl)piperazine 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

1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869
1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 1087313
(E)-1-hydroxy-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]but-3-en-2-one
CID 58509577
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17468522
N-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine
CID 71040307
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 40533110
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
2-[[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclohexyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 67446337
2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2324705
hydron;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol;chloride
CID 2998562

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-ethenylphenyl)sulfonylpiperidin-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[1-(4-ethenylphenyl)sulfonylpiperidin-4-yl]methyl]-4-(2-methoxyphenyl)piperazine (CID 149281042) is 1-[[1-(4-ethenylphenyl)sulfonylpiperidin-4-yl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[1-(4-ethenylphenyl)sulfonylpiperidin-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[1-(4-ethenylphenyl)sulfonylpiperidin-4-yl]methyl]-4-(2-methoxyphenyl)piperazine is C=Cc1ccc(S(=O)(=O)N2CCC(CN3CCN(c4ccccc4OC)CC3)CC2)cc1.
What is the InChIKey of 1-[[1-(4-ethenylphenyl)sulfonylpiperidin-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is XSYNJNJWXQHGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3S/c1-3-21-8-10-23(11-9-21)32(29,30)28-14-12-22(13-15-28)20-26-16-18-27(19-17-26)24-6-4-5-7-25(24)31-2/h3-11,22H,1,12-20H2,2H3.
What are the key properties of 1-[[1-(4-ethenylphenyl)sulfonylpiperidin-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[[1-(4-ethenylphenyl)sulfonylpiperidin-4-yl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 455.62 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-ethenylphenyl)sulfonylpiperidin-4-yl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 149281042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).