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

C16H27F3N2O3 — CID 134168401

IUPACN-[6-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide
SMILESCCC1(CO)CCN(C(=O)CCCCCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H27F3N2O3/c1-2-15(12-22)7-10-21(11-8-15)13(23)6-4-3-5-9-20-14(24)16(17,18)19/h22H,2-12H2,1H3,(H,20,24)
InChIKeyFJGRAMZVXYZFGG-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.24
Rot. Bonds8

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

N-[6-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide (PubChem CID 134168401) has the molecular formula C16H27F3N2O3 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[6-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[6-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide
PubChem CID134168401
Molecular FormulaC16H27F3N2O3
Molecular Weight352.40 g/mol
Exact Mass352.20
IUPAC NameN-[6-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide
SMILESCCC1(CO)CCN(C(=O)CCCCCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H27F3N2O3/c1-2-15(12-22)7-10-21(11-8-15)13(23)6-4-3-5-9-20-14(24)16(17,18)19/h22H,2-12H2,1H3,(H,20,24)
InChIKeyFJGRAMZVXYZFGG-UHFFFAOYSA-N
XLogP2.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.24
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
2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide
CID 134168398
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
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)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 63122031
4-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 63128889

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[6-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide (CID 134168401) is N-[6-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[6-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[6-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide is CCC1(CO)CCN(C(=O)CCCCCNC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[6-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide?
The InChIKey is FJGRAMZVXYZFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2O3/c1-2-15(12-22)7-10-21(11-8-15)13(23)6-4-3-5-9-20-14(24)16(17,18)19/h22H,2-12H2,1H3,(H,20,24).
What are the key properties of N-[6-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide?
N-[6-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide has a molecular weight of 352.40 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 134168401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).