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

C12H21F3N2O — CID 113327649

IUPAC5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
SMILESCC1CNCC(C(=O)NCCCCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-9-6-10(8-16-7-9)11(18)17-5-3-2-4-12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18)
InChIKeyNBHLYDSUGMRARC-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.08
Rot. Bonds5

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

5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide (PubChem CID 113327649) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
PubChem CID113327649
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
SMILESCC1CNCC(C(=O)NCCCCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-9-6-10(8-16-7-9)11(18)17-5-3-2-4-12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18)
InChIKeyNBHLYDSUGMRARC-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.08
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

(3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327524
N-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide
CID 114130968
N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide
CID 115491611
N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119781584
3-(5,5,5-trifluoropentylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115521714
3-amino-4-methyl-N-(5,5,5-trifluoropentyl)cyclohexane-1-carboxamide
CID 115522320
4-amino-3-methyl-N-(5,5,5-trifluoropentyl)cyclohexane-1-carboxamide
CID 115522321
N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 115522404
N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
CID 81433066
4-amino-3-methyl-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide
CID 115522308
N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 115519993
N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-3-carboxamide
CID 119852455

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide?
The IUPAC name of 5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide (CID 113327649) is 5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide?
The canonical SMILES for 5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide is CC1CNCC(C(=O)NCCCCC(F)(F)F)C1.
What is the InChIKey of 5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide?
The InChIKey is NBHLYDSUGMRARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-9-6-10(8-16-7-9)11(18)17-5-3-2-4-12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18).
What are the key properties of 5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide?
5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide has a molecular weight of 266.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide is sourced from PubChem (CID 113327649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).