4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid

C12H17F3N2O4 — CID 66240184

IUPAC4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1NC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H17F3N2O4/c13-12(14,15)7-2-1-3-17(4-7)11(20)16-9-6-21-5-8(9)10(18)19/h7-9H,1-6H2,(H,16,20)(H,18,19)
InChIKeyYMVYJDNFNNWHOB-UHFFFAOYSA-N
MW310.27 g/mol
LogP1.07
Rot. Bonds2

About 4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid

4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid (PubChem CID 66240184) has the molecular formula C12H17F3N2O4 and a molecular weight of 310.27 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
PubChem CID66240184
Molecular FormulaC12H17F3N2O4
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC Name4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1NC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H17F3N2O4/c13-12(14,15)7-2-1-3-17(4-7)11(20)16-9-6-21-5-8(9)10(18)19/h7-9H,1-6H2,(H,16,20)(H,18,19)
InChIKeyYMVYJDNFNNWHOB-UHFFFAOYSA-N
XLogP1.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid (CID 66240184) is 4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid is O=C(O)C1COCC1NC(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid?
The InChIKey is YMVYJDNFNNWHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O4/c13-12(14,15)7-2-1-3-17(4-7)11(20)16-9-6-21-5-8(9)10(18)19/h7-9H,1-6H2,(H,16,20)(H,18,19).
What are the key properties of 4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid?
4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid has a molecular weight of 310.27 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66240184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).