3-propyl-1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid

C10H16F3NO4S — CID 63135886

IUPAC3-propyl-1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO4S/c1-2-4-9(8(15)16)5-3-6-14(7-9)19(17,18)10(11,12)13/h2-7H2,1H3,(H,15,16)
InChIKeyFIYFKCGNHMXRDJ-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.80
Rot. Bonds4

About 3-propyl-1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid

3-propyl-1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid (PubChem CID 63135886) has the molecular formula C10H16F3NO4S and a molecular weight of 303.30 g/mol. Its IUPAC name is 3-propyl-1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propyl-1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid
PubChem CID63135886
Molecular FormulaC10H16F3NO4S
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Name3-propyl-1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO4S/c1-2-4-9(8(15)16)5-3-6-14(7-9)19(17,18)10(11,12)13/h2-7H2,1H3,(H,15,16)
InChIKeyFIYFKCGNHMXRDJ-UHFFFAOYSA-N
XLogP1.80
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-propyl-1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 43361305
CID 43361305
CID 138979823
CID 138979823
CID 151948540
CID 151948540
CID 156133203
CID 156133203
CID 176957026
CID 176957026
CID 28606760
CID 28606760
CID 28606764
CID 28606764
CID 43200286
CID 43200286
CID 55165693
CID 55165693
CID 55166283
CID 55166283
CID 55166462
CID 55166462
CID 55176612
CID 55176612

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-propyl-1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid (CID 63135886) is 3-propyl-1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-propyl-1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-propyl-1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of 3-propyl-1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid?
The InChIKey is FIYFKCGNHMXRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4S/c1-2-4-9(8(15)16)5-3-6-14(7-9)19(17,18)10(11,12)13/h2-7H2,1H3,(H,15,16).
What are the key properties of 3-propyl-1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid?
3-propyl-1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid has a molecular weight of 303.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(trifluoromethylsulfonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63135886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).