N-methyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]acetamide

C16H22N2O4S — CID 47080407

IUPACN-methyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]acetamide
SMILESCC(=O)N(C)C1CCN(C(=O)c2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C16H22N2O4S/c1-12(19)17(2)13-8-10-18(11-9-13)16(20)14-6-4-5-7-15(14)23(3,21)22/h4-7,13H,8-11H2,1-3H3
InChIKeyZDJMFPOIFHJSKL-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.17
Rot. Bonds3

About N-methyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]acetamide

N-methyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]acetamide (PubChem CID 47080407) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-methyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]acetamide
PubChem CID47080407
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-methyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]acetamide
SMILESCC(=O)N(C)C1CCN(C(=O)c2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C16H22N2O4S/c1-12(19)17(2)13-8-10-18(11-9-13)16(20)14-6-4-5-7-15(14)23(3,21)22/h4-7,13H,8-11H2,1-3H3
InChIKeyZDJMFPOIFHJSKL-UHFFFAOYSA-N
XLogP1.17
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 31305883
(3S)-1-(2-methylsulfonylbenzoyl)piperidine-3-carboxylic acid
CID 119112070
3-cyclohexyl-1-[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]propan-1-one
CID 60538780
(4-hydroxy-4-propylpiperidin-1-yl)-(2-methylsulfonylphenyl)methanone
CID 126805891
(3R)-3-[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97342786
N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 47080410
cyclopropyl-[(2R)-4-(2-methylsulfonylbenzoyl)morpholin-2-yl]methanone
CID 100743103
1-(2-ethylsulfonylbenzoyl)piperidine-4-carboxylic acid
CID 119166683
(2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 51124033
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 31301024
[4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 3865154

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-methyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]acetamide (CID 47080407) is N-methyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]acetamide is CC(=O)N(C)C1CCN(C(=O)c2ccccc2S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]acetamide?
The InChIKey is ZDJMFPOIFHJSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-12(19)17(2)13-8-10-18(11-9-13)16(20)14-6-4-5-7-15(14)23(3,21)22/h4-7,13H,8-11H2,1-3H3.
What are the key properties of N-methyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]acetamide?
N-methyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]acetamide has a molecular weight of 338.43 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 47080407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).