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

C12H17F3N2O4 — CID 66240185

IUPAC4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1NC(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O4/c13-12(14,15)7-1-3-17(4-2-7)11(20)16-9-6-21-5-8(9)10(18)19/h7-9H,1-6H2,(H,16,20)(H,18,19)
InChIKeySBUQAUKQIRHHPQ-UHFFFAOYSA-N
MW310.27 g/mol
LogP1.07
Rot. Bonds2

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

4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid (PubChem CID 66240185) has the molecular formula C12H17F3N2O4 and a molecular weight of 310.27 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
PubChem CID66240185
Molecular FormulaC12H17F3N2O4
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC Name4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1NC(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O4/c13-12(14,15)7-1-3-17(4-2-7)11(20)16-9-6-21-5-8(9)10(18)19/h7-9H,1-6H2,(H,16,20)(H,18,19)
InChIKeySBUQAUKQIRHHPQ-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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Related Compounds

4-[(4,4-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239177
4-[(3-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66240354
4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66240346
4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239386
4-[(3,5-dioxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66241377
2-[(4-tert-butylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64817139
4-[(2-methylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239382
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 102727427
4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 115535124
N-(4-aminooxolan-3-yl)pyrrolidine-1-carboxamide
CID 130719573
(1S,6R)-6-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 104962511
cis-(1R,2S)-2-(azetidine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 164662283

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid (CID 66240185) is 4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid is O=C(O)C1COCC1NC(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid?
The InChIKey is SBUQAUKQIRHHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O4/c13-12(14,15)7-1-3-17(4-2-7)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-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid?
4-[[4-(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-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66240185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).