N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C12H19F3N2O2 — CID 112729310

IUPACN-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCC(=O)NC1
InChIInChI=1S/C12H19F3N2O2/c1-2-3-6-17(8-12(13,14)15)11(19)9-4-5-10(18)16-7-9/h9H,2-8H2,1H3,(H,16,18)
InChIKeyZOTIQICZFUPMBV-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.70
Rot. Bonds5

About N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 112729310) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID112729310
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCC(=O)NC1
InChIInChI=1S/C12H19F3N2O2/c1-2-3-6-17(8-12(13,14)15)11(19)9-4-5-10(18)16-7-9/h9H,2-8H2,1H3,(H,16,18)
InChIKeyZOTIQICZFUPMBV-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 78971176
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 66009798
N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 78981901
2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975228
N-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 106611873
N-methyl-N-(2-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 78994366
N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78868725
6-oxo-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119825568
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
CID 60766142
2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 64822616
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 81484591
N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 107067711

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 112729310) is N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1CCC(=O)NC1.
What is the InChIKey of N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is ZOTIQICZFUPMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-2-3-6-17(8-12(13,14)15)11(19)9-4-5-10(18)16-7-9/h9H,2-8H2,1H3,(H,16,18).
What are the key properties of N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 112729310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).