N-[1-(3-methylbut-2-enoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

C13H19F3N2O2 — CID 128989495

IUPACN-[1-(3-methylbut-2-enoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCC(C(F)(F)F)N(C(=O)C=C(C)C)C1
InChIInChI=1S/C13H19F3N2O2/c1-8(2)6-12(20)18-7-10(17-9(3)19)4-5-11(18)13(14,15)16/h6,10-11H,4-5,7H2,1-3H3,(H,17,19)
InChIKeyNZDHQBWLUNBIIS-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.01
Rot. Bonds2

About N-[1-(3-methylbut-2-enoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[1-(3-methylbut-2-enoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 128989495) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-[1-(3-methylbut-2-enoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-methylbut-2-enoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID128989495
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC NameN-[1-(3-methylbut-2-enoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCC(C(F)(F)F)N(C(=O)C=C(C)C)C1
InChIInChI=1S/C13H19F3N2O2/c1-8(2)6-12(20)18-7-10(17-9(3)19)4-5-11(18)13(14,15)16/h6,10-11H,4-5,7H2,1-3H3,(H,17,19)
InChIKeyNZDHQBWLUNBIIS-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbut-2-enoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(3-methylbut-2-enoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 128989495) is N-[1-(3-methylbut-2-enoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(3-methylbut-2-enoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(3-methylbut-2-enoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is CC(=O)NC1CCC(C(F)(F)F)N(C(=O)C=C(C)C)C1.
What is the InChIKey of N-[1-(3-methylbut-2-enoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is NZDHQBWLUNBIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-8(2)6-12(20)18-7-10(17-9(3)19)4-5-11(18)13(14,15)16/h6,10-11H,4-5,7H2,1-3H3,(H,17,19).
What are the key properties of N-[1-(3-methylbut-2-enoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[1-(3-methylbut-2-enoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 292.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbut-2-enoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 128989495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).