2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide

C15H25F3N2O3 — CID 134168398

IUPAC2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide
SMILESCC1(CO)CCN(C(=O)CCCCCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O3/c1-14(11-21)6-9-20(10-7-14)12(22)5-3-2-4-8-19-13(23)15(16,17)18/h21H,2-11H2,1H3,(H,19,23)
InChIKeyMUDHQJQGZGDMKV-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.85
Rot. Bonds7

About 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide

2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide (PubChem CID 134168398) has the molecular formula C15H25F3N2O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide
PubChem CID134168398
Molecular FormulaC15H25F3N2O3
Molecular Weight338.37 g/mol
Exact Mass338.18
IUPAC Name2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide
SMILESCC1(CO)CCN(C(=O)CCCCCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O3/c1-14(11-21)6-9-20(10-7-14)12(22)5-3-2-4-8-19-13(23)15(16,17)18/h21H,2-11H2,1H3,(H,19,23)
InChIKeyMUDHQJQGZGDMKV-UHFFFAOYSA-N
XLogP1.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[4,4-bis(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide
CID 134168397
N-[6-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide
CID 134168401
4-[[4-Methyl-1-[6-[(2,2,2-trifluoroacetyl)amino]hexanoyl]piperidin-4-yl]methoxy]-4-oxobutanoic acid
CID 134168410
N-[6-(4-ethyl-4-methylpiperidin-1-yl)-6-oxohexyl]-2,2,2-trifluoroacetamide
CID 134168414
[4-(Hydroxymethyl)-1-[6-[(2,2,2-trifluoroacetyl)amino]hexanoyl]piperidin-4-yl]methyl acetate
CID 134179215
(4S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide
CID 144600505
2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(methoxymethyl)piperidin-1-yl]-6-oxohexyl]acetamide
CID 145444585
[4-(Hydroxymethyl)-1-[6-[(2,2,2-trifluoroacetyl)amino]hexanoyl]piperidin-4-yl]methyl hypoiodite
CID 155088835
2,2,2-trifluoro-N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]acetamide
CID 156250032
N-[6-[4,4-bis(methoxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide
CID 158070102
6-acetamidohexanoic acid;N-[6-[4,4-bis(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide
CID 158949358
N-(2-hydroxyethyl)-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 55049436

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide (CID 134168398) is 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide is CC1(CO)CCN(C(=O)CCCCCNC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide?
The InChIKey is MUDHQJQGZGDMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O3/c1-14(11-21)6-9-20(10-7-14)12(22)5-3-2-4-8-19-13(23)15(16,17)18/h21H,2-11H2,1H3,(H,19,23).
What are the key properties of 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide?
2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide has a molecular weight of 338.37 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide is sourced from PubChem (CID 134168398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).