1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid

C12H16F3NO3 — CID 175285784

IUPAC1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2(C(F)(F)F)CCC2)CC1
InChIInChI=1S/C12H16F3NO3/c13-12(14,15)11(4-1-5-11)10(19)16-6-2-8(3-7-16)9(17)18/h8H,1-7H2,(H,17,18)
InChIKeyQTNLKFWMJACXMA-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.04
Rot. Bonds2

About 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid

1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid (PubChem CID 175285784) has the molecular formula C12H16F3NO3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid
PubChem CID175285784
Molecular FormulaC12H16F3NO3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Name1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2(C(F)(F)F)CCC2)CC1
InChIInChI=1S/C12H16F3NO3/c13-12(14,15)11(4-1-5-11)10(19)16-6-2-8(3-7-16)9(17)18/h8H,1-7H2,(H,17,18)
InChIKeyQTNLKFWMJACXMA-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

pyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone
CID 130382404
(4-hydroxypiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 166513698
[(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 175876207
[4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride
CID 166513702
1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138
3,6-diazabicyclo[3.1.1]heptan-3-yl-[1-(trifluoromethyl)cyclobutyl]methanone
CID 71099525
(3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 166513724
1-(3-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63141724
2,2-dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 126750235
piperidine-1,4-dicarboxylic acid
CID 18542445
1-(4-hydroxy-4-methylazepan-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 107404034
1-[4-(azetidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750157

Frequently Asked Questions

What is the IUPAC name of 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid (CID 175285784) is 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)C2(C(F)(F)F)CCC2)CC1.
What is the InChIKey of 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid?
The InChIKey is QTNLKFWMJACXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3/c13-12(14,15)11(4-1-5-11)10(19)16-6-2-8(3-7-16)9(17)18/h8H,1-7H2,(H,17,18).
What are the key properties of 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid?
1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid has a molecular weight of 279.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 175285784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).