N-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide

C14H28N2O3S — CID 119812275

IUPACN-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide
SMILESCC(CCS(C)(=O)=O)NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C14H28N2O3S/c1-11(13-4-7-15-8-5-13)10-14(17)16-12(2)6-9-20(3,18)19/h11-13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyHBQFZEALKSBZOD-UHFFFAOYSA-N
MW304.46 g/mol
LogP0.95
Rot. Bonds7

About N-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide

N-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide (PubChem CID 119812275) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide
PubChem CID119812275
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide
SMILESCC(CCS(C)(=O)=O)NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C14H28N2O3S/c1-11(13-4-7-15-8-5-13)10-14(17)16-12(2)6-9-20(3,18)19/h11-13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyHBQFZEALKSBZOD-UHFFFAOYSA-N
XLogP0.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-3-piperidin-4-ylbutanamide
CID 119669606
N-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119789209
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide
CID 119756301
N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119806695
N-(2,3-dimethylbutyl)-3-piperidin-4-ylbutanamide
CID 119796514
3-methyl-2-(3-piperidin-4-ylbutanoylamino)butanamide;hydrochloride
CID 119779357
3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide
CID 119758906
N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119737978
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
N-(2,2-dimethylcyclopentyl)-3-piperidin-4-ylbutanamide
CID 119790559
4-methylsulfonyl-1-piperidin-4-ylbutan-1-ol
CID 80560226
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide?
The IUPAC name of N-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide (CID 119812275) is N-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide is CC(CCS(C)(=O)=O)NC(=O)CC(C)C1CCNCC1.
What is the InChIKey of N-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide?
The InChIKey is HBQFZEALKSBZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-11(13-4-7-15-8-5-13)10-14(17)16-12(2)6-9-20(3,18)19/h11-13,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide?
N-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide has a molecular weight of 304.46 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119812275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).