1-(4-methoxyphenyl)-4-[[2-(4-methylphenyl)sulfonyl-3-pyridinyl]methyl]piperazine

C24H27N3O3S — CID 71700723

IUPAC1-(4-methoxyphenyl)-4-[[2-(4-methylphenyl)sulfonyl-3-pyridinyl]methyl]piperazine
SMILESCOc1ccc(N2CCN(Cc3cccnc3S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C24H27N3O3S/c1-19-5-11-23(12-6-19)31(28,29)24-20(4-3-13-25-24)18-26-14-16-27(17-15-26)21-7-9-22(30-2)10-8-21/h3-13H,14-18H2,1-2H3
InChIKeyNYQOYNPSEYTKLG-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.55
Rot. Bonds6

About 1-(4-methoxyphenyl)-4-[[2-(4-methylphenyl)sulfonyl-3-pyridinyl]methyl]piperazine

1-(4-methoxyphenyl)-4-[[2-(4-methylphenyl)sulfonyl-3-pyridinyl]methyl]piperazine (PubChem CID 71700723) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[[2-(4-methylphenyl)sulfonyl-3-pyridinyl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[[2-(4-methylphenyl)sulfonyl-3-pyridinyl]methyl]piperazine
PubChem CID71700723
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name1-(4-methoxyphenyl)-4-[[2-(4-methylphenyl)sulfonyl-3-pyridinyl]methyl]piperazine
SMILESCOc1ccc(N2CCN(Cc3cccnc3S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C24H27N3O3S/c1-19-5-11-23(12-6-19)31(28,29)24-20(4-3-13-25-24)18-26-14-16-27(17-15-26)21-7-9-22(30-2)10-8-21/h3-13H,14-18H2,1-2H3
InChIKeyNYQOYNPSEYTKLG-UHFFFAOYSA-N
XLogP3.55
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.55
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

8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 18131319
1-(4-methoxyphenyl)-4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazine
CID 3829632
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
4-(4-chlorophenyl)sulfonyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)-1,3-oxazole
CID 18825490
7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 171541814
8-ethenyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 171541804
4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171130683
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
1-(4-methoxyphenyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 55830213
1-(4-methoxyphenyl)-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine
CID 10618724
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1376801

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[[2-(4-methylphenyl)sulfonyl-3-pyridinyl]methyl]piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-[[2-(4-methylphenyl)sulfonyl-3-pyridinyl]methyl]piperazine (CID 71700723) is 1-(4-methoxyphenyl)-4-[[2-(4-methylphenyl)sulfonyl-3-pyridinyl]methyl]piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[[2-(4-methylphenyl)sulfonyl-3-pyridinyl]methyl]piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[[2-(4-methylphenyl)sulfonyl-3-pyridinyl]methyl]piperazine is COc1ccc(N2CCN(Cc3cccnc3S(=O)(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[[2-(4-methylphenyl)sulfonyl-3-pyridinyl]methyl]piperazine?
The InChIKey is NYQOYNPSEYTKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-19-5-11-23(12-6-19)31(28,29)24-20(4-3-13-25-24)18-26-14-16-27(17-15-26)21-7-9-22(30-2)10-8-21/h3-13H,14-18H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-[[2-(4-methylphenyl)sulfonyl-3-pyridinyl]methyl]piperazine?
1-(4-methoxyphenyl)-4-[[2-(4-methylphenyl)sulfonyl-3-pyridinyl]methyl]piperazine has a molecular weight of 437.57 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[[2-(4-methylphenyl)sulfonyl-3-pyridinyl]methyl]piperazine is sourced from PubChem (CID 71700723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).