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

C10H17F3N2O — CID 81433066

IUPACN-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
SMILESO=C(NCCCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)4-1-5-15-9(16)8-2-6-14-7-3-8/h8,14H,1-7H2,(H,15,16)
InChIKeyLNEVTWNAIINHAJ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.44
Rot. Bonds4

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

N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide (PubChem CID 81433066) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
PubChem CID81433066
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC NameN-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
SMILESO=C(NCCCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)4-1-5-15-9(16)8-2-6-14-7-3-8/h8,14H,1-7H2,(H,15,16)
InChIKeyLNEVTWNAIINHAJ-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
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-3-carboxamide;hydrochloride
CID 119781584
N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide
CID 115491611
N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide
CID 63826716
N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 115522404
(3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327524
N-(4-oxopentyl)piperidine-4-carboxamide
CID 172589492
N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide
CID 79046602
N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide
CID 81434241
N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 118234588
N-(6-methylsulfanylhexyl)piperidine-4-carboxamide
CID 114125387
4-amino-3-methyl-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide
CID 115522308
N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride
CID 119852526

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide?
The IUPAC name of N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide (CID 81433066) is N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide is O=C(NCCCC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide?
The InChIKey is LNEVTWNAIINHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)4-1-5-15-9(16)8-2-6-14-7-3-8/h8,14H,1-7H2,(H,15,16).
What are the key properties of N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide?
N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.44, 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-4-carboxamide is sourced from PubChem (CID 81433066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).