(3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide

C11H19F3N2O — CID 113327524

IUPAC(3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
SMILESO=C(NCCCCC(F)(F)F)[C@@H]1CCCNC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)5-1-2-7-16-10(17)9-4-3-6-15-8-9/h9,15H,1-8H2,(H,16,17)/t9-/m1/s1
InChIKeyXWRWDIHLFCUZMW-SECBINFHSA-N
MW252.28 g/mol
LogP1.83
Rot. Bonds5

About (3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide

(3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide (PubChem CID 113327524) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is (3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
PubChem CID113327524
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name(3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
SMILESO=C(NCCCCC(F)(F)F)[C@@H]1CCCNC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)5-1-2-7-16-10(17)9-4-3-6-15-8-9/h9,15H,1-8H2,(H,16,17)/t9-/m1/s1
InChIKeyXWRWDIHLFCUZMW-SECBINFHSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.83
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
5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327649
N-(3-cyclohexylpropyl)piperidine-3-carboxamide
CID 119289859
(3S)-N-hex-5-ynylpiperidine-3-carboxamide
CID 106213073
N-(3-cyclohexylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119289858
(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide
CID 81139140
N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide
CID 162568495
N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
CID 81433066
N-(4-methylpentyl)piperidine-3-carboxamide
CID 61043776
3-(5,5,5-trifluoropentylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115521714
methyl 6-(piperidine-3-carbonylamino)hexanoate
CID 119269488

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide (CID 113327524) is (3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide is O=C(NCCCCC(F)(F)F)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide?
The InChIKey is XWRWDIHLFCUZMW-SECBINFHSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)5-1-2-7-16-10(17)9-4-3-6-15-8-9/h9,15H,1-8H2,(H,16,17)/t9-/m1/s1.
What are the key properties of (3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide?
(3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide is sourced from PubChem (CID 113327524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).