N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide

C9H13F5N2O — CID 162568495

IUPACN-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)C(F)(F)F)C1CCCNC1
InChIInChI=1S/C9H13F5N2O/c10-8(11,9(12,13)14)5-16-7(17)6-2-1-3-15-4-6/h6,15H,1-5H2,(H,16,17)
InChIKeyNNBQAYFUNZOHFC-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.30
Rot. Bonds3

About N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide

N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide (PubChem CID 162568495) has the molecular formula C9H13F5N2O and a molecular weight of 260.21 g/mol. Its IUPAC name is N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide
PubChem CID162568495
Molecular FormulaC9H13F5N2O
Molecular Weight260.21 g/mol
Exact Mass260.09
IUPAC NameN-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)C(F)(F)F)C1CCCNC1
InChIInChI=1S/C9H13F5N2O/c10-8(11,9(12,13)14)5-16-7(17)6-2-1-3-15-4-6/h6,15H,1-5H2,(H,16,17)
InChIKeyNNBQAYFUNZOHFC-UHFFFAOYSA-N
XLogP1.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide
CID 106176675
N-(2-methoxy-2-methylpropyl)piperidine-3-carboxamide
CID 115734334
(3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327524
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
(3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide
CID 114164701
3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81133727
methyl 2-(piperidine-3-carbonylamino)acetate
CID 60913799
(3S)-N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 81123262
N-(2-oxopropyl)piperidine-3-carboxamide
CID 83629204
N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 43371173
(3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide
CID 106254036
N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide
CID 106176720

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide (CID 162568495) is N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide is O=C(NCC(F)(F)C(F)(F)F)C1CCCNC1.
What is the InChIKey of N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide?
The InChIKey is NNBQAYFUNZOHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F5N2O/c10-8(11,9(12,13)14)5-16-7(17)6-2-1-3-15-4-6/h6,15H,1-5H2,(H,16,17).
What are the key properties of N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide?
N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide has a molecular weight of 260.21 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide is sourced from PubChem (CID 162568495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).