1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid

C16H24N4O5S — CID 122090461

IUPAC1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)N2CCCC(C(=O)O)C2)nc1
InChIInChI=1S/C16H24N4O5S/c1-16(2,3)19-26(24,25)12-6-7-13(17-9-12)18-15(23)20-8-4-5-11(10-20)14(21)22/h6-7,9,11,19H,4-5,8,10H2,1-3H3,(H,21,22)(H,17,18,23)
InChIKeyBVGREZDYPVZTHI-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.49
Rot. Bonds4

About 1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid

1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122090461) has the molecular formula C16H24N4O5S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122090461
Molecular FormulaC16H24N4O5S
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Name1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)N2CCCC(C(=O)O)C2)nc1
InChIInChI=1S/C16H24N4O5S/c1-16(2,3)19-26(24,25)12-6-7-13(17-9-12)18-15(23)20-8-4-5-11(10-20)14(21)22/h6-7,9,11,19H,4-5,8,10H2,1-3H3,(H,21,22)(H,17,18,23)
InChIKeyBVGREZDYPVZTHI-UHFFFAOYSA-N
XLogP1.49
TPSA128.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(tert-butylsulfamoyl)benzoyl]piperidine-3-carboxylic acid
CID 119113729
N-tert-butyl-6-(cyclopropylamino)pyridine-3-sulfonamide
CID 98018239
1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089896
N-[5-(tert-butylsulfamoyl)-2-pyridinyl]-3-cyclopropyl-1-methylpyrazole-4-carboxamide
CID 154779474
1-[(1-tert-butyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089621
(3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118220
1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43535289
(3R)-1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120044
(3R)-1-(piperidin-1-ylcarbamoyl)piperidine-3-carboxylic acid
CID 83020304
1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088415
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122085523
1-[(4-methyl-2-methylsulfonylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122095072

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid (CID 122090461) is 1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)N2CCCC(C(=O)O)C2)nc1.
What is the InChIKey of 1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is BVGREZDYPVZTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5S/c1-16(2,3)19-26(24,25)12-6-7-13(17-9-12)18-15(23)20-8-4-5-11(10-20)14(21)22/h6-7,9,11,19H,4-5,8,10H2,1-3H3,(H,21,22)(H,17,18,23).
What are the key properties of 1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 384.46 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122090461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).