N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide

C16H24FN3O3S — CID 119702961

IUPACN-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1)C1CCCNC1
InChIInChI=1S/C16H24FN3O3S/c1-11(12-4-3-7-18-10-12)8-16(21)19-13-5-6-14(17)15(9-13)20-24(2,22)23/h5-6,9,11-12,18,20H,3-4,7-8,10H2,1-2H3,(H,19,21)
InChIKeyKBBQVEJLKXODLX-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.16
Rot. Bonds6

About N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide

N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide (PubChem CID 119702961) has the molecular formula C16H24FN3O3S and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
PubChem CID119702961
Molecular FormulaC16H24FN3O3S
Molecular Weight357.45 g/mol
Exact Mass357.15
IUPAC NameN-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1)C1CCCNC1
InChIInChI=1S/C16H24FN3O3S/c1-11(12-4-3-7-18-10-12)8-16(21)19-13-5-6-14(17)15(9-13)20-24(2,22)23/h5-6,9,11-12,18,20H,3-4,7-8,10H2,1-2H3,(H,19,21)
InChIKeyKBBQVEJLKXODLX-UHFFFAOYSA-N
XLogP2.16
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119711254
N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705041
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide
CID 119723826
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119709850
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704022
2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119798145
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-(4-cyclobutyloxy-3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119811125
N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119725834

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide (CID 119702961) is N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1)C1CCCNC1.
What is the InChIKey of N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide?
The InChIKey is KBBQVEJLKXODLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3S/c1-11(12-4-3-7-18-10-12)8-16(21)19-13-5-6-14(17)15(9-13)20-24(2,22)23/h5-6,9,11-12,18,20H,3-4,7-8,10H2,1-2H3,(H,19,21).
What are the key properties of N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide?
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide has a molecular weight of 357.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119702961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).