3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide

C16H22N2O5S — CID 90586455

IUPAC3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)N2CCC(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C16H22N2O5S/c1-23-13-5-3-4-12(10-13)16(20)17-11-15(19)18-8-6-14(7-9-18)24(2,21)22/h3-5,10,14H,6-9,11H2,1-2H3,(H,17,20)
InChIKeySQPQXXULFPMZFS-UHFFFAOYSA-N
MW354.43 g/mol
LogP0.46
Rot. Bonds5

About 3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide

3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide (PubChem CID 90586455) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide
PubChem CID90586455
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)N2CCC(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C16H22N2O5S/c1-23-13-5-3-4-12(10-13)16(20)17-11-15(19)18-8-6-14(7-9-18)24(2,21)22/h3-5,10,14H,6-9,11H2,1-2H3,(H,17,20)
InChIKeySQPQXXULFPMZFS-UHFFFAOYSA-N
XLogP0.46
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 112995627
3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911
3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 90616430
3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9152898
N-[2-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methoxybenzamide
CID 90594984
3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 136522528
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117490
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-methoxybenzamide
CID 110370967
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
3-methoxy-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
CID 4877073
3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 46601420

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide (CID 90586455) is 3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide is COc1cccc(C(=O)NCC(=O)N2CCC(S(C)(=O)=O)CC2)c1.
What is the InChIKey of 3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is SQPQXXULFPMZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-23-13-5-3-4-12(10-13)16(20)17-11-15(19)18-8-6-14(7-9-18)24(2,21)22/h3-5,10,14H,6-9,11H2,1-2H3,(H,17,20).
What are the key properties of 3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide?
3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 354.43 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 90586455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).