N-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide

C18H28FN3O3S — CID 113140833

IUPACN-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide
SMILESCC(C)(C)N(CCC(=O)N1CCN(c2ccccc2F)CC1)S(C)(=O)=O
InChIInChI=1S/C18H28FN3O3S/c1-18(2,3)22(26(4,24)25)10-9-17(23)21-13-11-20(12-14-21)16-8-6-5-7-15(16)19/h5-8H,9-14H2,1-4H3
InChIKeyKDKOMVMVXUUABE-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.92
Rot. Bonds5

About N-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide

N-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide (PubChem CID 113140833) has the molecular formula C18H28FN3O3S and a molecular weight of 385.51 g/mol. Its IUPAC name is N-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide
PubChem CID113140833
Molecular FormulaC18H28FN3O3S
Molecular Weight385.51 g/mol
Exact Mass385.18
IUPAC NameN-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide
SMILESCC(C)(C)N(CCC(=O)N1CCN(c2ccccc2F)CC1)S(C)(=O)=O
InChIInChI=1S/C18H28FN3O3S/c1-18(2,3)22(26(4,24)25)10-9-17(23)21-13-11-20(12-14-21)16-8-6-5-7-15(16)19/h5-8H,9-14H2,1-4H3
InChIKeyKDKOMVMVXUUABE-UHFFFAOYSA-N
XLogP1.92
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-3-oxopropane-1-sulfonamide
CID 110343327
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113140860
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950323
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
CID 3309376
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118954
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 113150299
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylpropylamino)propan-1-one
CID 109012792
3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109017069
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 110332735
N-(2,5-dimethylphenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113124351
N-(2,6-difluorophenyl)-N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113147118

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide (CID 113140833) is N-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide is CC(C)(C)N(CCC(=O)N1CCN(c2ccccc2F)CC1)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide?
The InChIKey is KDKOMVMVXUUABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O3S/c1-18(2,3)22(26(4,24)25)10-9-17(23)21-13-11-20(12-14-21)16-8-6-5-7-15(16)19/h5-8H,9-14H2,1-4H3.
What are the key properties of N-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide?
N-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide has a molecular weight of 385.51 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113140833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).