[1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate

C26H27FN2O5S — CID 71134202

IUPAC[1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CNC(=O)OC2(c3ccccc3)CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C26H27FN2O5S/c1-33-23-12-10-20(11-13-23)19-28-25(30)34-26(21-6-3-2-4-7-21)14-16-29(17-15-26)35(31,32)24-9-5-8-22(27)18-24/h2-13,18H,14-17,19H2,1H3,(H,28,30)
InChIKeyOOFDUSFUVOKUSN-UHFFFAOYSA-N
MW498.58 g/mol
LogP4.44
Rot. Bonds7

About [1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate

[1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate (PubChem CID 71134202) has the molecular formula C26H27FN2O5S and a molecular weight of 498.58 g/mol. Its IUPAC name is [1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name[1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate
PubChem CID71134202
Molecular FormulaC26H27FN2O5S
Molecular Weight498.58 g/mol
Exact Mass498.16
IUPAC Name[1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CNC(=O)OC2(c3ccccc3)CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C26H27FN2O5S/c1-33-23-12-10-20(11-13-23)19-28-25(30)34-26(21-6-3-2-4-7-21)14-16-29(17-15-26)35(31,32)24-9-5-8-22(27)18-24/h2-13,18H,14-17,19H2,1H3,(H,28,30)
InChIKeyOOFDUSFUVOKUSN-UHFFFAOYSA-N
XLogP4.44
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate?
The IUPAC name of [1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate (CID 71134202) is [1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for [1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate?
The canonical SMILES for [1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate is COc1ccc(CNC(=O)OC2(c3ccccc3)CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of [1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate?
The InChIKey is OOFDUSFUVOKUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O5S/c1-33-23-12-10-20(11-13-23)19-28-25(30)34-26(21-6-3-2-4-7-21)14-16-29(17-15-26)35(31,32)24-9-5-8-22(27)18-24/h2-13,18H,14-17,19H2,1H3,(H,28,30).
What are the key properties of [1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate?
[1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate has a molecular weight of 498.58 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 71134202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).