N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide

C12H21F3N2O — CID 82811806

IUPACN-[6-(trifluoromethyl)piperidin-3-yl]hexanamide
SMILESCCCCCC(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C12H21F3N2O/c1-2-3-4-5-11(18)17-9-6-7-10(16-8-9)12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18)
InChIKeyAJWDSQWYDQMSEI-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.37
Rot. Bonds5

About N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide

N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide (PubChem CID 82811806) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide.

Molecular Properties

Compound NameN-[6-(trifluoromethyl)piperidin-3-yl]hexanamide
PubChem CID82811806
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-[6-(trifluoromethyl)piperidin-3-yl]hexanamide
SMILESCCCCCC(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C12H21F3N2O/c1-2-3-4-5-11(18)17-9-6-7-10(16-8-9)12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18)
InChIKeyAJWDSQWYDQMSEI-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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

4,4,4-trifluoro-N-[6-(trifluoromethyl)piperidin-3-yl]butanamide
CID 82811943
2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 112602539
1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]urea
CID 82810862
N-[(3S)-pyrrolidin-3-yl]decanamide
CID 79688087
N-piperidin-4-ylhexanamide;hydrochloride
CID 47002713
N-(3-methylcyclopentyl)dodecanamide
CID 114549665
N-[6-(trifluoromethyl)piperidin-3-yl]butane-1-sulfonamide
CID 82812636
N-(4-hydroxycyclohexyl)dodecanamide
CID 61380713
N-cyclobutylhexadecanamide
CID 67041463
N-cyclobutylicosanamide
CID 10384249
N-(2-methylpiperidin-4-yl)hexanamide
CID 106995560
N-cyclohexyltetradecanamide
CID 10244853

Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide?
The IUPAC name of N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide (CID 82811806) is N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide.
What is the SMILES notation for N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide?
The canonical SMILES for N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide is CCCCCC(=O)NC1CCC(C(F)(F)F)NC1.
What is the InChIKey of N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide?
The InChIKey is AJWDSQWYDQMSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-2-3-4-5-11(18)17-9-6-7-10(16-8-9)12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18).
What are the key properties of N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide?
N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide has a molecular weight of 266.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide is sourced from PubChem (CID 82811806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).