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

C24H31N3O5S — CID 1075491

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4OC)CC3)CC2)cc1
InChIInChI=1S/C24H31N3O5S/c1-31-20-7-9-21(10-8-20)33(29,30)27-13-11-19(12-14-27)24(28)26-17-15-25(16-18-26)22-5-3-4-6-23(22)32-2/h3-10,19H,11-18H2,1-2H3
InChIKeyJUQFCEKRFLQOTI-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.45
Rot. Bonds6

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

[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 1075491) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID1075491
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4OC)CC3)CC2)cc1
InChIInChI=1S/C24H31N3O5S/c1-31-20-7-9-21(10-8-20)33(29,30)27-13-11-19(12-14-27)24(28)26-17-15-25(16-18-26)22-5-3-4-6-23(22)32-2/h3-10,19H,11-18H2,1-2H3
InChIKeyJUQFCEKRFLQOTI-UHFFFAOYSA-N
XLogP2.45
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone (CID 1075491) is [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone is COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4OC)CC3)CC2)cc1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is JUQFCEKRFLQOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-31-20-7-9-21(10-8-20)33(29,30)27-13-11-19(12-14-27)24(28)26-17-15-25(16-18-26)22-5-3-4-6-23(22)32-2/h3-10,19H,11-18H2,1-2H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 473.60 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 1075491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).