N-[1-[8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide

C26H32FN3O3S — CID 11952100

IUPACN-[1-[8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(c1ccc(F)cc1)C1CCN(C2CC3CCC(C2)N3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C26H32FN3O3S/c1-19(31)29(21-9-7-20(27)8-10-21)22-13-15-28(16-14-22)25-17-23-11-12-24(18-25)30(23)34(32,33)26-5-3-2-4-6-26/h2-10,22-25H,11-18H2,1H3
InChIKeyYMCOYBRCTNRZBK-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.03
Rot. Bonds5

About N-[1-[8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide

N-[1-[8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 11952100) has the molecular formula C26H32FN3O3S and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[1-[8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-[8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
PubChem CID11952100
Molecular FormulaC26H32FN3O3S
Molecular Weight485.63 g/mol
Exact Mass485.21
IUPAC NameN-[1-[8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(c1ccc(F)cc1)C1CCN(C2CC3CCC(C2)N3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C26H32FN3O3S/c1-19(31)29(21-9-7-20(27)8-10-21)22-13-15-28(16-14-22)25-17-23-11-12-24(18-25)30(23)34(32,33)26-5-3-2-4-6-26/h2-10,22-25H,11-18H2,1H3
InChIKeyYMCOYBRCTNRZBK-UHFFFAOYSA-N
XLogP4.03
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of N-[1-[8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide (CID 11952100) is N-[1-[8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-[8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[1-[8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide is CC(=O)N(c1ccc(F)cc1)C1CCN(C2CC3CCC(C2)N3S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is YMCOYBRCTNRZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O3S/c1-19(31)29(21-9-7-20(27)8-10-21)22-13-15-28(16-14-22)25-17-23-11-12-24(18-25)30(23)34(32,33)26-5-3-2-4-6-26/h2-10,22-25H,11-18H2,1H3.
What are the key properties of N-[1-[8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide?
N-[1-[8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 485.63 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[8-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 11952100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).