N-[3-[4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide

C24H31FN4O3S — CID 10005122

IUPACN-[3-[4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(CC3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)c1
InChIInChI=1S/C24H31FN4O3S/c1-19(30)26-22-3-2-4-23(17-22)28-15-13-27(14-16-28)18-20-9-11-29(12-10-20)33(31,32)24-7-5-21(25)6-8-24/h2-8,17,20H,9-16,18H2,1H3,(H,26,30)
InChIKeyMMOSXZZEPZECBR-UHFFFAOYSA-N
MW474.60 g/mol
LogP3.01
Rot. Bonds6

About N-[3-[4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide

N-[3-[4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide (PubChem CID 10005122) has the molecular formula C24H31FN4O3S and a molecular weight of 474.60 g/mol. Its IUPAC name is N-[3-[4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide
PubChem CID10005122
Molecular FormulaC24H31FN4O3S
Molecular Weight474.60 g/mol
Exact Mass474.21
IUPAC NameN-[3-[4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(CC3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)c1
InChIInChI=1S/C24H31FN4O3S/c1-19(30)26-22-3-2-4-23(17-22)28-15-13-27(14-16-28)18-20-9-11-29(12-10-20)33(31,32)24-7-5-21(25)6-8-24/h2-8,17,20H,9-16,18H2,1H3,(H,26,30)
InChIKeyMMOSXZZEPZECBR-UHFFFAOYSA-N
XLogP3.01
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Naluzotan
CID 11430856
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259
N-(2,4-difluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824613
N-(3-{4-[4-(2-methyl-propane-1-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-acetamide
CID 10047196
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-propionamide
CID 10072874
N-[3-(4-{4-[methyl-(2-methyl-propane-1-sulfonyl)-amino]-butyl}-piperazin-1-yl)-phenyl]-acetamide
CID 10093856
N-(3-{4-[4-(4-fluoro-benzenesulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-acetamide
CID 10253106
Cyclopropanecarboxylic acid (3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-amide
CID 10254142
N-(3-(4-(4-(cyclohexylsulfonylamino)butyl)piperazin-1-yl)-phenyl)acetamide
CID 10343002
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-acetamide
CID 10343434
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-isobutyramide
CID 10367560
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-butyramide
CID 10412550

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide (CID 10005122) is N-[3-[4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(N2CCN(CC3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)c1.
What is the InChIKey of N-[3-[4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide?
The InChIKey is MMOSXZZEPZECBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O3S/c1-19(30)26-22-3-2-4-23(17-22)28-15-13-27(14-16-28)18-20-9-11-29(12-10-20)33(31,32)24-7-5-21(25)6-8-24/h2-8,17,20H,9-16,18H2,1H3,(H,26,30).
What are the key properties of N-[3-[4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide?
N-[3-[4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide has a molecular weight of 474.60 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 10005122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).