1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxylic acid

C14H23NO5S — CID 119136730

IUPAC1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CCS(=O)(=O)C2CCCC2)C1
InChIInChI=1S/C14H23NO5S/c16-13(15-8-3-4-11(10-15)14(17)18)7-9-21(19,20)12-5-1-2-6-12/h11-12H,1-10H2,(H,17,18)
InChIKeyAUJIPPRILNQQGH-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.06
Rot. Bonds5

About 1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxylic acid

1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxylic acid (PubChem CID 119136730) has the molecular formula C14H23NO5S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxylic acid
PubChem CID119136730
Molecular FormulaC14H23NO5S
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC Name1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CCS(=O)(=O)C2CCCC2)C1
InChIInChI=1S/C14H23NO5S/c16-13(15-8-3-4-11(10-15)14(17)18)7-9-21(19,20)12-5-1-2-6-12/h11-12H,1-10H2,(H,17,18)
InChIKeyAUJIPPRILNQQGH-UHFFFAOYSA-N
XLogP1.06
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxylic acid (CID 119136730) is 1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)CCS(=O)(=O)C2CCCC2)C1.
What is the InChIKey of 1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxylic acid?
The InChIKey is AUJIPPRILNQQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S/c16-13(15-8-3-4-11(10-15)14(17)18)7-9-21(19,20)12-5-1-2-6-12/h11-12H,1-10H2,(H,17,18).
What are the key properties of 1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxylic acid?
1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxylic acid has a molecular weight of 317.41 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 119136730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).