N-[6-(4-ethyl-4-methylpiperidin-1-yl)-6-oxohexyl]-2,2,2-trifluoroacetamide

C16H27F3N2O2 — CID 134168414

IUPACN-[6-(4-ethyl-4-methylpiperidin-1-yl)-6-oxohexyl]-2,2,2-trifluoroacetamide
SMILESCCC1(C)CCN(C(=O)CCCCCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H27F3N2O2/c1-3-15(2)8-11-21(12-9-15)13(22)7-5-4-6-10-20-14(23)16(17,18)19/h3-12H2,1-2H3,(H,20,23)
InChIKeyUQXSMICTDCMISU-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.26
Rot. Bonds7

About N-[6-(4-ethyl-4-methylpiperidin-1-yl)-6-oxohexyl]-2,2,2-trifluoroacetamide

N-[6-(4-ethyl-4-methylpiperidin-1-yl)-6-oxohexyl]-2,2,2-trifluoroacetamide (PubChem CID 134168414) has the molecular formula C16H27F3N2O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[6-(4-ethyl-4-methylpiperidin-1-yl)-6-oxohexyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[6-(4-ethyl-4-methylpiperidin-1-yl)-6-oxohexyl]-2,2,2-trifluoroacetamide
PubChem CID134168414
Molecular FormulaC16H27F3N2O2
Molecular Weight336.40 g/mol
Exact Mass336.20
IUPAC NameN-[6-(4-ethyl-4-methylpiperidin-1-yl)-6-oxohexyl]-2,2,2-trifluoroacetamide
SMILESCCC1(C)CCN(C(=O)CCCCCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H27F3N2O2/c1-3-15(2)8-11-21(12-9-15)13(22)7-5-4-6-10-20-14(23)16(17,18)19/h3-12H2,1-2H3,(H,20,23)
InChIKeyUQXSMICTDCMISU-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(tritiomethyl)piperidin-1-yl]-6-oxohexyl]acetamide
CID 140837338
2,2,2-trifluoro-N-(4-oxo-4-piperidin-1-ylbutyl)acetamide
CID 23252437
1-(4-ethyl-4-methylpiperidin-1-yl)butane-1,3-dione
CID 63163386
5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 82852140
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one
CID 65291232
2-(4-ethyl-4-methylazepan-1-yl)-N-methyl-2-oxoethanesulfonamide
CID 84586007
ethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate
CID 62614238
1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone
CID 63159977
1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one
CID 80707384
1-(4-hydroxy-4-methylazepan-1-yl)heptan-1-one
CID 107406036

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethyl-4-methylpiperidin-1-yl)-6-oxohexyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[6-(4-ethyl-4-methylpiperidin-1-yl)-6-oxohexyl]-2,2,2-trifluoroacetamide (CID 134168414) is N-[6-(4-ethyl-4-methylpiperidin-1-yl)-6-oxohexyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[6-(4-ethyl-4-methylpiperidin-1-yl)-6-oxohexyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[6-(4-ethyl-4-methylpiperidin-1-yl)-6-oxohexyl]-2,2,2-trifluoroacetamide is CCC1(C)CCN(C(=O)CCCCCNC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[6-(4-ethyl-4-methylpiperidin-1-yl)-6-oxohexyl]-2,2,2-trifluoroacetamide?
The InChIKey is UQXSMICTDCMISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2O2/c1-3-15(2)8-11-21(12-9-15)13(22)7-5-4-6-10-20-14(23)16(17,18)19/h3-12H2,1-2H3,(H,20,23).
What are the key properties of N-[6-(4-ethyl-4-methylpiperidin-1-yl)-6-oxohexyl]-2,2,2-trifluoroacetamide?
N-[6-(4-ethyl-4-methylpiperidin-1-yl)-6-oxohexyl]-2,2,2-trifluoroacetamide has a molecular weight of 336.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-ethyl-4-methylpiperidin-1-yl)-6-oxohexyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 134168414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).