2,2,2-trifluoro-N-[1-(3-methylpentan-3-yl)piperidin-4-yl]acetamide

C13H23F3N2O — CID 146553692

IUPAC2,2,2-trifluoro-N-[1-(3-methylpentan-3-yl)piperidin-4-yl]acetamide
SMILESCCC(C)(CC)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-4-12(3,5-2)18-8-6-10(7-9-18)17-11(19)13(14,15)16/h10H,4-9H2,1-3H3,(H,17,19)
InChIKeyGULNAPJSVYBYFE-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.71
Rot. Bonds4

About 2,2,2-trifluoro-N-[1-(3-methylpentan-3-yl)piperidin-4-yl]acetamide

2,2,2-trifluoro-N-[1-(3-methylpentan-3-yl)piperidin-4-yl]acetamide (PubChem CID 146553692) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(3-methylpentan-3-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(3-methylpentan-3-yl)piperidin-4-yl]acetamide
PubChem CID146553692
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2,2,2-trifluoro-N-[1-(3-methylpentan-3-yl)piperidin-4-yl]acetamide
SMILESCCC(C)(CC)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-4-12(3,5-2)18-8-6-10(7-9-18)17-11(19)13(14,15)16/h10H,4-9H2,1-3H3,(H,17,19)
InChIKeyGULNAPJSVYBYFE-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(3-methylpentan-3-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(3-methylpentan-3-yl)piperidin-4-yl]acetamide (CID 146553692) is 2,2,2-trifluoro-N-[1-(3-methylpentan-3-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(3-methylpentan-3-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(3-methylpentan-3-yl)piperidin-4-yl]acetamide is CCC(C)(CC)N1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(3-methylpentan-3-yl)piperidin-4-yl]acetamide?
The InChIKey is GULNAPJSVYBYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-4-12(3,5-2)18-8-6-10(7-9-18)17-11(19)13(14,15)16/h10H,4-9H2,1-3H3,(H,17,19).
What are the key properties of 2,2,2-trifluoro-N-[1-(3-methylpentan-3-yl)piperidin-4-yl]acetamide?
2,2,2-trifluoro-N-[1-(3-methylpentan-3-yl)piperidin-4-yl]acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.71, 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-[1-(3-methylpentan-3-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 146553692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).