1-(1-butylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxylic acid

C16H28N2O5S — CID 75428768

IUPAC1-(1-butylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
SMILESCCCCS(=O)(=O)N1CCC(C(=O)N2CCCCC2C(=O)O)CC1
InChIInChI=1S/C16H28N2O5S/c1-2-3-12-24(22,23)17-10-7-13(8-11-17)15(19)18-9-5-4-6-14(18)16(20)21/h13-14H,2-12H2,1H3,(H,20,21)
InChIKeyAZPJAJMBUGTUQA-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.29
Rot. Bonds6

About 1-(1-butylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxylic acid

1-(1-butylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxylic acid (PubChem CID 75428768) has the molecular formula C16H28N2O5S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(1-butylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-butylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
PubChem CID75428768
Molecular FormulaC16H28N2O5S
Molecular Weight360.48 g/mol
Exact Mass360.17
IUPAC Name1-(1-butylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
SMILESCCCCS(=O)(=O)N1CCC(C(=O)N2CCCCC2C(=O)O)CC1
InChIInChI=1S/C16H28N2O5S/c1-2-3-12-24(22,23)17-10-7-13(8-11-17)15(19)18-9-5-4-6-14(18)16(20)21/h13-14H,2-12H2,1H3,(H,20,21)
InChIKeyAZPJAJMBUGTUQA-UHFFFAOYSA-N
XLogP1.29
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(1-butylsulfonylpiperidin-4-yl)methanone
CID 60611038
1-(1-butylsulfonylpiperidine-4-carbonyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 55777949
1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 119137754
(3S,4S)-1-(1-butylsulfonylpiperidine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120952490
(1-butylsulfonylpiperidin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572115
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
1-pentylsulfonylpyrrolidine-3-carboxylic acid
CID 122068573
1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64560305

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1-butylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxylic acid (CID 75428768) is 1-(1-butylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-butylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-butylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxylic acid is CCCCS(=O)(=O)N1CCC(C(=O)N2CCCCC2C(=O)O)CC1.
What is the InChIKey of 1-(1-butylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is AZPJAJMBUGTUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O5S/c1-2-3-12-24(22,23)17-10-7-13(8-11-17)15(19)18-9-5-4-6-14(18)16(20)21/h13-14H,2-12H2,1H3,(H,20,21).
What are the key properties of 1-(1-butylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxylic acid?
1-(1-butylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 360.48 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 75428768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).