6-methyl-1-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperidine-3-carboxylic acid

C18H26N2O5S — CID 122114222

IUPAC6-methyl-1-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C18H26N2O5S/c1-12(2)19(4)26(24,25)16-9-7-14(8-10-16)17(21)20-11-15(18(22)23)6-5-13(20)3/h7-10,12-13,15H,5-6,11H2,1-4H3,(H,22,23)
InChIKeyALSIQPKVLZFRHB-UHFFFAOYSA-N
MW382.48 g/mol
LogP2.04
Rot. Bonds5

About 6-methyl-1-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperidine-3-carboxylic acid

6-methyl-1-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperidine-3-carboxylic acid (PubChem CID 122114222) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is 6-methyl-1-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperidine-3-carboxylic acid
PubChem CID122114222
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name6-methyl-1-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C18H26N2O5S/c1-12(2)19(4)26(24,25)16-9-7-14(8-10-16)17(21)20-11-15(18(22)23)6-5-13(20)3/h7-10,12-13,15H,5-6,11H2,1-4H3,(H,22,23)
InChIKeyALSIQPKVLZFRHB-UHFFFAOYSA-N
XLogP2.04
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-methyl-1-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-3-carboxylic acid
CID 120953581
6-methyl-1-[4-(trifluoromethylsulfanyl)benzoyl]piperidine-3-carboxylic acid
CID 122083736
1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083728
1-[4-(dimethylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354199
1-(3-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122083734
1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113497
6-methyl-1-(4-prop-2-enoxybenzoyl)piperidine-3-carboxylic acid
CID 122083617
1-[4-[[ethyl(propyl)amino]methyl]benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113197
6-methyl-1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 122114234
1-(3-methoxy-4-nitrobenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122083688
6-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 122113684
N-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119493599

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperidine-3-carboxylic acid (CID 122114222) is 6-methyl-1-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1.
What is the InChIKey of 6-methyl-1-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperidine-3-carboxylic acid?
The InChIKey is ALSIQPKVLZFRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-12(2)19(4)26(24,25)16-9-7-14(8-10-16)17(21)20-11-15(18(22)23)6-5-13(20)3/h7-10,12-13,15H,5-6,11H2,1-4H3,(H,22,23).
What are the key properties of 6-methyl-1-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperidine-3-carboxylic acid?
6-methyl-1-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperidine-3-carboxylic acid has a molecular weight of 382.48 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122114222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).