N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide

C16H24N2O3S — CID 119694301

IUPACN-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1cccc(S(C)(=O)=O)c1)C1CCCNC1
InChIInChI=1S/C16H24N2O3S/c1-12(13-5-4-8-17-11-13)9-16(19)18-14-6-3-7-15(10-14)22(2,20)21/h3,6-7,10,12-13,17H,4-5,8-9,11H2,1-2H3,(H,18,19)
InChIKeyWKSUWSGIYMWPHX-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.05
Rot. Bonds5

About N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide

N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide (PubChem CID 119694301) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
PubChem CID119694301
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1cccc(S(C)(=O)=O)c1)C1CCCNC1
InChIInChI=1S/C16H24N2O3S/c1-12(13-5-4-8-17-11-13)9-16(19)18-14-6-3-7-15(10-14)22(2,20)21/h3,6-7,10,12-13,17H,4-5,8-9,11H2,1-2H3,(H,18,19)
InChIKeyWKSUWSGIYMWPHX-UHFFFAOYSA-N
XLogP2.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide
CID 119743911
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743910
N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119711254
N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714898
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119808894
3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide
CID 119712067
3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119870552

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide (CID 119694301) is N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1cccc(S(C)(=O)=O)c1)C1CCCNC1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide?
The InChIKey is WKSUWSGIYMWPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12(13-5-4-8-17-11-13)9-16(19)18-14-6-3-7-15(10-14)22(2,20)21/h3,6-7,10,12-13,17H,4-5,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide?
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide has a molecular weight of 324.45 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119694301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).