N-(1-benzylpiperidin-4-yl)-3-fluoro-N-methylpropane-1-sulfonamide

C16H25FN2O2S — CID 84585904

IUPACN-(1-benzylpiperidin-4-yl)-3-fluoro-N-methylpropane-1-sulfonamide
SMILESCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)CCCF
InChIInChI=1S/C16H25FN2O2S/c1-18(22(20,21)13-5-10-17)16-8-11-19(12-9-16)14-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3
InChIKeyGELOGJPINPVKSO-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.27
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-3-fluoro-N-methylpropane-1-sulfonamide

N-(1-benzylpiperidin-4-yl)-3-fluoro-N-methylpropane-1-sulfonamide (PubChem CID 84585904) has the molecular formula C16H25FN2O2S and a molecular weight of 328.45 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-fluoro-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-fluoro-N-methylpropane-1-sulfonamide
PubChem CID84585904
Molecular FormulaC16H25FN2O2S
Molecular Weight328.45 g/mol
Exact Mass328.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-fluoro-N-methylpropane-1-sulfonamide
SMILESCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)CCCF
InChIInChI=1S/C16H25FN2O2S/c1-18(22(20,21)13-5-10-17)16-8-11-19(12-9-16)14-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3
InChIKeyGELOGJPINPVKSO-UHFFFAOYSA-N
XLogP2.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(1-benzylpiperidin-4-yl)-3-fluoro-N-methylpropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
1-benzyl-4-[methyl(sulfinato)amino]piperidine
CID 59098116
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
2-[(1-benzylpiperidin-4-yl)-methylamino]phenol
CID 57245914
3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol
CID 22712052
1-benzyl-4-(3-methylsulfonylpropyl)piperazine
CID 142978183
N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754317
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
1-benzyl-4-(2-methylsulfonylethyl)piperazine
CID 78787270
1-benzyl-N,N-dibutylpiperidin-4-amine
CID 102272076
3-[(6S)-4-benzyl-6-hydroxy-1,4-diazepan-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 98863466

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-fluoro-N-methylpropane-1-sulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-fluoro-N-methylpropane-1-sulfonamide (CID 84585904) is N-(1-benzylpiperidin-4-yl)-3-fluoro-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-fluoro-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-fluoro-N-methylpropane-1-sulfonamide is CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)CCCF.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-fluoro-N-methylpropane-1-sulfonamide?
The InChIKey is GELOGJPINPVKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2S/c1-18(22(20,21)13-5-10-17)16-8-11-19(12-9-16)14-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-fluoro-N-methylpropane-1-sulfonamide?
N-(1-benzylpiperidin-4-yl)-3-fluoro-N-methylpropane-1-sulfonamide has a molecular weight of 328.45 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-fluoro-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 84585904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).