1-[2-[methyl-[4-(methylsulfamoyl)benzoyl]amino]acetyl]piperidine-4-carboxylic acid

C17H23N3O6S — CID 119235772

IUPAC1-[2-[methyl-[4-(methylsulfamoyl)benzoyl]amino]acetyl]piperidine-4-carboxylic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H23N3O6S/c1-18-27(25,26)14-5-3-12(4-6-14)16(22)19(2)11-15(21)20-9-7-13(8-10-20)17(23)24/h3-6,13,18H,7-11H2,1-2H3,(H,23,24)
InChIKeyPTFKIXRWLGPILZ-UHFFFAOYSA-N
MW397.45 g/mol
LogP-0.01
Rot. Bonds6

About 1-[2-[methyl-[4-(methylsulfamoyl)benzoyl]amino]acetyl]piperidine-4-carboxylic acid

1-[2-[methyl-[4-(methylsulfamoyl)benzoyl]amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 119235772) has the molecular formula C17H23N3O6S and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-[2-[methyl-[4-(methylsulfamoyl)benzoyl]amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl-[4-(methylsulfamoyl)benzoyl]amino]acetyl]piperidine-4-carboxylic acid
PubChem CID119235772
Molecular FormulaC17H23N3O6S
Molecular Weight397.45 g/mol
Exact Mass397.13
IUPAC Name1-[2-[methyl-[4-(methylsulfamoyl)benzoyl]amino]acetyl]piperidine-4-carboxylic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H23N3O6S/c1-18-27(25,26)14-5-3-12(4-6-14)16(22)19(2)11-15(21)20-9-7-13(8-10-20)17(23)24/h3-6,13,18H,7-11H2,1-2H3,(H,23,24)
InChIKeyPTFKIXRWLGPILZ-UHFFFAOYSA-N
XLogP-0.01
TPSA124.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[methyl-(4-methylsulfanylbenzoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236330
1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119236319
1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236084
1-[2-[(3-bromofuran-2-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525575
1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 120525541
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 43354178
1-[2-[(2-anilinobenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236397
1-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 156620036
1-[2-[(5-bromo-2-methylbenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236165
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 16573863
1-[2-(4-ethylsulfonylphenyl)acetyl]piperidine-4-carboxylic acid
CID 119166185
1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341309

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[4-(methylsulfamoyl)benzoyl]amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[methyl-[4-(methylsulfamoyl)benzoyl]amino]acetyl]piperidine-4-carboxylic acid (CID 119235772) is 1-[2-[methyl-[4-(methylsulfamoyl)benzoyl]amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl-[4-(methylsulfamoyl)benzoyl]amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[methyl-[4-(methylsulfamoyl)benzoyl]amino]acetyl]piperidine-4-carboxylic acid is CNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[2-[methyl-[4-(methylsulfamoyl)benzoyl]amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is PTFKIXRWLGPILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6S/c1-18-27(25,26)14-5-3-12(4-6-14)16(22)19(2)11-15(21)20-9-7-13(8-10-20)17(23)24/h3-6,13,18H,7-11H2,1-2H3,(H,23,24).
What are the key properties of 1-[2-[methyl-[4-(methylsulfamoyl)benzoyl]amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[methyl-[4-(methylsulfamoyl)benzoyl]amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 397.45 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[4-(methylsulfamoyl)benzoyl]amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119235772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).