(3R)-3-(3-methoxypropyl)-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid

C14H22F3NO4 — CID 97128215

IUPAC(3R)-3-(3-methoxypropyl)-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid
SMILESCOCCC[C@]1(C(=O)O)CCCN(C(=O)CCC(F)(F)F)C1
InChIInChI=1S/C14H22F3NO4/c1-22-9-3-6-13(12(20)21)5-2-8-18(10-13)11(19)4-7-14(15,16)17/h2-10H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyUQUFKOPWXRPYQF-CYBMUJFWSA-N
MW325.33 g/mol
LogP2.45
Rot. Bonds7

About (3R)-3-(3-methoxypropyl)-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid

(3R)-3-(3-methoxypropyl)-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid (PubChem CID 97128215) has the molecular formula C14H22F3NO4 and a molecular weight of 325.33 g/mol. Its IUPAC name is (3R)-3-(3-methoxypropyl)-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(3-methoxypropyl)-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid
PubChem CID97128215
Molecular FormulaC14H22F3NO4
Molecular Weight325.33 g/mol
Exact Mass325.15
IUPAC Name(3R)-3-(3-methoxypropyl)-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid
SMILESCOCCC[C@]1(C(=O)O)CCCN(C(=O)CCC(F)(F)F)C1
InChIInChI=1S/C14H22F3NO4/c1-22-9-3-6-13(12(20)21)5-2-8-18(10-13)11(19)4-7-14(15,16)17/h2-10H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyUQUFKOPWXRPYQF-CYBMUJFWSA-N
XLogP2.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-3-(3-methoxypropyl)-1-(4,4,4-trifluorobutanoyl)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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methoxypropyl)-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-(3-methoxypropyl)-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid (CID 97128215) is (3R)-3-(3-methoxypropyl)-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-(3-methoxypropyl)-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-(3-methoxypropyl)-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid is COCCC[C@]1(C(=O)O)CCCN(C(=O)CCC(F)(F)F)C1.
What is the InChIKey of (3R)-3-(3-methoxypropyl)-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid?
The InChIKey is UQUFKOPWXRPYQF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22F3NO4/c1-22-9-3-6-13(12(20)21)5-2-8-18(10-13)11(19)4-7-14(15,16)17/h2-10H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (3R)-3-(3-methoxypropyl)-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid?
(3R)-3-(3-methoxypropyl)-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid has a molecular weight of 325.33 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methoxypropyl)-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 97128215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).