N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide

C16H24FN3O3S — CID 119373543

IUPACN-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(CCCC(=O)N1CCC(N)CC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H24FN3O3S/c1-19(24(22,23)15-6-4-13(17)5-7-15)10-2-3-16(21)20-11-8-14(18)9-12-20/h4-7,14H,2-3,8-12,18H2,1H3
InChIKeyPJRGDUWFIBOZLL-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.18
Rot. Bonds6

About N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide

N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 119373543) has the molecular formula C16H24FN3O3S and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide
PubChem CID119373543
Molecular FormulaC16H24FN3O3S
Molecular Weight357.45 g/mol
Exact Mass357.15
IUPAC NameN-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(CCCC(=O)N1CCC(N)CC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H24FN3O3S/c1-19(24(22,23)15-6-4-13(17)5-7-15)10-2-3-16(21)20-11-8-14(18)9-12-20/h4-7,14H,2-3,8-12,18H2,1H3
InChIKeyPJRGDUWFIBOZLL-UHFFFAOYSA-N
XLogP1.18
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide
CID 120820249
4-acetyl-N-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-N-methylbenzenesulfonamide
CID 119412223
N-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide
CID 49071480
(3R)-1-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide
CID 9406370
4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-N-methylbenzenesulfonamide
CID 55358521
N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119466785
4-fluoro-N-methyl-N-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]benzenesulfonamide
CID 55358304
N-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119435042
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119372938
1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one
CID 90589548
N-(4-ethylcyclohexyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 112816434
4-fluoro-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 895452

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide (CID 119373543) is N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide is CN(CCCC(=O)N1CCC(N)CC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is PJRGDUWFIBOZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3S/c1-19(24(22,23)15-6-4-13(17)5-7-15)10-2-3-16(21)20-11-8-14(18)9-12-20/h4-7,14H,2-3,8-12,18H2,1H3.
What are the key properties of N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide?
N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 357.45 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 119373543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).