3-(1-piperidin-1-ylsulfonylpiperidin-3-yl)butanoic acid

C14H26N2O4S — CID 81043263

IUPAC3-(1-piperidin-1-ylsulfonylpiperidin-3-yl)butanoic acid
SMILESCC(CC(=O)O)C1CCCN(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C14H26N2O4S/c1-12(10-14(17)18)13-6-5-9-16(11-13)21(19,20)15-7-3-2-4-8-15/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyIVISBBVGEXRGQB-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.54
Rot. Bonds5

About 3-(1-piperidin-1-ylsulfonylpiperidin-3-yl)butanoic acid

3-(1-piperidin-1-ylsulfonylpiperidin-3-yl)butanoic acid (PubChem CID 81043263) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 3-(1-piperidin-1-ylsulfonylpiperidin-3-yl)butanoic acid.

Molecular Properties

Compound Name3-(1-piperidin-1-ylsulfonylpiperidin-3-yl)butanoic acid
PubChem CID81043263
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name3-(1-piperidin-1-ylsulfonylpiperidin-3-yl)butanoic acid
SMILESCC(CC(=O)O)C1CCCN(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C14H26N2O4S/c1-12(10-14(17)18)13-6-5-9-16(11-13)21(19,20)15-7-3-2-4-8-15/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyIVISBBVGEXRGQB-UHFFFAOYSA-N
XLogP1.54
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclopentylsulfonylpiperidin-3-yl)butanoic acid
CID 105360920
3-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]butanoic acid
CID 81046421
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 103494329
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-(2-propylsulfonylethyl)piperidin-3-yl]butanoic acid
CID 106727653
(3S)-3-cyclobutylbutanoic acid
CID 96733267
3-cyclobutylbutanoic acid
CID 82594402
3-[1-(2,6-dimethylheptan-4-yl)piperidin-3-yl]butanoic acid
CID 114867007
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81047175
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid
CID 81046204

Frequently Asked Questions

What is the IUPAC name of 3-(1-piperidin-1-ylsulfonylpiperidin-3-yl)butanoic acid?
The IUPAC name of 3-(1-piperidin-1-ylsulfonylpiperidin-3-yl)butanoic acid (CID 81043263) is 3-(1-piperidin-1-ylsulfonylpiperidin-3-yl)butanoic acid.
What is the SMILES notation for 3-(1-piperidin-1-ylsulfonylpiperidin-3-yl)butanoic acid?
The canonical SMILES for 3-(1-piperidin-1-ylsulfonylpiperidin-3-yl)butanoic acid is CC(CC(=O)O)C1CCCN(S(=O)(=O)N2CCCCC2)C1.
What is the InChIKey of 3-(1-piperidin-1-ylsulfonylpiperidin-3-yl)butanoic acid?
The InChIKey is IVISBBVGEXRGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-12(10-14(17)18)13-6-5-9-16(11-13)21(19,20)15-7-3-2-4-8-15/h12-13H,2-11H2,1H3,(H,17,18).
What are the key properties of 3-(1-piperidin-1-ylsulfonylpiperidin-3-yl)butanoic acid?
3-(1-piperidin-1-ylsulfonylpiperidin-3-yl)butanoic acid has a molecular weight of 318.44 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperidin-1-ylsulfonylpiperidin-3-yl)butanoic acid is sourced from PubChem (CID 81043263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).