N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide

C10H17F3N2O — CID 81434241

IUPACN-(4,4,4-trifluorobutyl)piperidine-2-carboxamide
SMILESO=C(NCCCC(F)(F)F)C1CCCCN1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)5-3-7-15-9(16)8-4-1-2-6-14-8/h8,14H,1-7H2,(H,15,16)
InChIKeyYCVLULMPEOMSEZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.59
Rot. Bonds4

About N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide

N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide (PubChem CID 81434241) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)piperidine-2-carboxamide
PubChem CID81434241
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC NameN-(4,4,4-trifluorobutyl)piperidine-2-carboxamide
SMILESO=C(NCCCC(F)(F)F)C1CCCCN1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)5-3-7-15-9(16)8-4-1-2-6-14-8/h8,14H,1-7H2,(H,15,16)
InChIKeyYCVLULMPEOMSEZ-UHFFFAOYSA-N
XLogP1.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide
CID 79046602
N-(4-hydroxybutyl)azepane-2-carboxamide
CID 106842137
(2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide
CID 103795366
methyl 4-(azepane-2-carbonylamino)butanoate
CID 64562876
N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119318990
(2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide
CID 103812003
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
CID 81433066
3-(piperidine-2-carbonylamino)propanoic acid
CID 61157644
3-[[(2S)-pyrrolidine-2-carbonyl]amino]propane-1-sulfonic acid
CID 25008297
N-(3-ethoxypropyl)azocane-2-carboxamide
CID 114240040
(2R)-N-(7-methyloctyl)piperidine-2-carboxamide
CID 103807890

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide?
The IUPAC name of N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide (CID 81434241) is N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide?
The canonical SMILES for N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide is O=C(NCCCC(F)(F)F)C1CCCCN1.
What is the InChIKey of N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide?
The InChIKey is YCVLULMPEOMSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)5-3-7-15-9(16)8-4-1-2-6-14-8/h8,14H,1-7H2,(H,15,16).
What are the key properties of N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide?
N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide is sourced from PubChem (CID 81434241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).