N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide

C16H22N2O4S — CID 110745924

IUPACN-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCS(=O)(=O)CC1CCN(C(=O)CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H22N2O4S/c1-23(21,22)12-13-7-9-18(10-8-13)15(19)11-17-16(20)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,17,20)
InChIKeyMZBOADSJTUXCRX-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.70
Rot. Bonds5

About N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide

N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 110745924) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID110745924
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCS(=O)(=O)CC1CCN(C(=O)CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H22N2O4S/c1-23(21,22)12-13-7-9-18(10-8-13)15(19)11-17-16(20)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,17,20)
InChIKeyMZBOADSJTUXCRX-UHFFFAOYSA-N
XLogP0.70
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110743431
N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 90492606
methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 110821590
methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate
CID 84579845
N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 50823425
N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564016
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
N-[2-oxo-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]benzamide
CID 90492929
N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564014
N-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide
CID 110810039
ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 47932223

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide (CID 110745924) is N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide is CS(=O)(=O)CC1CCN(C(=O)CNC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is MZBOADSJTUXCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-23(21,22)12-13-7-9-18(10-8-13)15(19)11-17-16(20)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,17,20).
What are the key properties of N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 338.43 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 110745924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).