2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide

C16H22N2O5S — CID 90592519

IUPAC2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H22N2O5S/c1-17-15(19)11-24(21,22)14-7-9-18(10-8-14)16(20)12-3-5-13(23-2)6-4-12/h3-6,14H,7-11H2,1-2H3,(H,17,19)
InChIKeyJAACZBFRSLVIIZ-UHFFFAOYSA-N
MW354.43 g/mol
LogP0.46
Rot. Bonds5

About 2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide

2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide (PubChem CID 90592519) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
PubChem CID90592519
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H22N2O5S/c1-17-15(19)11-24(21,22)14-7-9-18(10-8-14)16(20)12-3-5-13(23-2)6-4-12/h3-6,14H,7-11H2,1-2H3,(H,17,19)
InChIKeyJAACZBFRSLVIIZ-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

2-[1-[4-(2-methoxyethoxy)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592646
2-[1-(4-butoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592559
2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592548
N-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide
CID 90592568
N-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide
CID 90592506
2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592768
2-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592562
2-methoxy-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557132
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone
CID 90591711
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide
CID 108563487
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551232

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide?
The IUPAC name of 2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide (CID 90592519) is 2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide?
The canonical SMILES for 2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide?
The InChIKey is JAACZBFRSLVIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-17-15(19)11-24(21,22)14-7-9-18(10-8-14)16(20)12-3-5-13(23-2)6-4-12/h3-6,14H,7-11H2,1-2H3,(H,17,19).
What are the key properties of 2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide?
2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide 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 2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide is sourced from PubChem (CID 90592519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).