N-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide

C14H21N3O3S — CID 113151736

IUPACN-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCC1)Cc1ccncc1
InChIInChI=1S/C14H21N3O3S/c1-21(19,20)17(11-13-5-7-15-8-6-13)12-14(18)16-9-3-2-4-10-16/h5-8H,2-4,9-12H2,1H3
InChIKeyZVIDHVALKBSSIA-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.86
Rot. Bonds5

About N-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide

N-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide (PubChem CID 113151736) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
PubChem CID113151736
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCC1)Cc1ccncc1
InChIInChI=1S/C14H21N3O3S/c1-21(19,20)17(11-13-5-7-15-8-6-13)12-14(18)16-9-3-2-4-10-16/h5-8H,2-4,9-12H2,1H3
InChIKeyZVIDHVALKBSSIA-UHFFFAOYSA-N
XLogP0.86
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 113151747
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 113151644
N-[(4-methoxyphenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113151239
N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113138968
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 113151179
N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide
CID 3381789
N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113152545
N-[(4-methoxyphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113139616
N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113151250
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
N-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide
CID 7378847
N-[(3,4-dichlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 6459025

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide?
The IUPAC name of N-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide (CID 113151736) is N-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCCC1)Cc1ccncc1.
What is the InChIKey of N-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide?
The InChIKey is ZVIDHVALKBSSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-21(19,20)17(11-13-5-7-15-8-6-13)12-14(18)16-9-3-2-4-10-16/h5-8H,2-4,9-12H2,1H3.
What are the key properties of N-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide?
N-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide has a molecular weight of 311.41 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide is sourced from PubChem (CID 113151736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).