2,2,2-trifluoro-N-(4-oxo-4-piperidin-1-ylbutyl)acetamide

C11H17F3N2O2 — CID 23252437

IUPAC2,2,2-trifluoro-N-(4-oxo-4-piperidin-1-ylbutyl)acetamide
SMILESO=C(CCCNC(=O)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)10(18)15-6-4-5-9(17)16-7-2-1-3-8-16/h1-8H2,(H,15,18)
InChIKeyGVPOEEZRWLHQOT-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.46
Rot. Bonds4

About 2,2,2-trifluoro-N-(4-oxo-4-piperidin-1-ylbutyl)acetamide

2,2,2-trifluoro-N-(4-oxo-4-piperidin-1-ylbutyl)acetamide (PubChem CID 23252437) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-oxo-4-piperidin-1-ylbutyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-oxo-4-piperidin-1-ylbutyl)acetamide
PubChem CID23252437
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name2,2,2-trifluoro-N-(4-oxo-4-piperidin-1-ylbutyl)acetamide
SMILESO=C(CCCNC(=O)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)10(18)15-6-4-5-9(17)16-7-2-1-3-8-16/h1-8H2,(H,15,18)
InChIKeyGVPOEEZRWLHQOT-UHFFFAOYSA-N
XLogP1.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.46
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

tert-butyl N-[4-(azepan-1-yl)-4-oxobutyl]carbamate
CID 24688946
N-[6-(4-ethyl-4-methylpiperidin-1-yl)-6-oxohexyl]-2,2,2-trifluoroacetamide
CID 134168414
N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 580958
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(tritiomethyl)piperidin-1-yl]-6-oxohexyl]acetamide
CID 140837338
N-[4-(1,4-diazepan-1-yl)-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
CID 119416641
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate
CID 22027804
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
1-[4-(2,2-dimethylpropanoylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 63031976
1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000
methyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734856

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-oxo-4-piperidin-1-ylbutyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-oxo-4-piperidin-1-ylbutyl)acetamide (CID 23252437) is 2,2,2-trifluoro-N-(4-oxo-4-piperidin-1-ylbutyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-oxo-4-piperidin-1-ylbutyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-oxo-4-piperidin-1-ylbutyl)acetamide is O=C(CCCNC(=O)C(F)(F)F)N1CCCCC1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-oxo-4-piperidin-1-ylbutyl)acetamide?
The InChIKey is GVPOEEZRWLHQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c12-11(13,14)10(18)15-6-4-5-9(17)16-7-2-1-3-8-16/h1-8H2,(H,15,18).
What are the key properties of 2,2,2-trifluoro-N-(4-oxo-4-piperidin-1-ylbutyl)acetamide?
2,2,2-trifluoro-N-(4-oxo-4-piperidin-1-ylbutyl)acetamide has a molecular weight of 266.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-oxo-4-piperidin-1-ylbutyl)acetamide is sourced from PubChem (CID 23252437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).