1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]piperazine

C23H31N3O3S — CID 24791430

IUPAC1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]piperazine
SMILESCOc1ccccc1N1CCN(C2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1
InChIInChI=1S/C23H31N3O3S/c1-19-9-11-21(12-10-19)30(27,28)26-13-5-6-20(18-26)24-14-16-25(17-15-24)22-7-3-4-8-23(22)29-2/h3-4,7-12,20H,5-6,13-18H2,1-2H3
InChIKeyOSYINLFEOJAFBQ-UHFFFAOYSA-N
MW429.59 g/mol
LogP2.98
Rot. Bonds5

About 1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]piperazine

1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]piperazine (PubChem CID 24791430) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]piperazine
PubChem CID24791430
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]piperazine
SMILESCOc1ccccc1N1CCN(C2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1
InChIInChI=1S/C23H31N3O3S/c1-19-9-11-21(12-10-19)30(27,28)26-13-5-6-20(18-26)24-14-16-25(17-15-24)22-7-3-4-8-23(22)29-2/h3-4,7-12,20H,5-6,13-18H2,1-2H3
InChIKeyOSYINLFEOJAFBQ-UHFFFAOYSA-N
XLogP2.98
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]piperazine (CID 24791430) is 1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]piperazine is COc1ccccc1N1CCN(C2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]piperazine?
The InChIKey is OSYINLFEOJAFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-19-9-11-21(12-10-19)30(27,28)26-13-5-6-20(18-26)24-14-16-25(17-15-24)22-7-3-4-8-23(22)29-2/h3-4,7-12,20H,5-6,13-18H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]piperazine?
1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]piperazine has a molecular weight of 429.59 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]piperazine is sourced from PubChem (CID 24791430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).