2-(3-methylpiperidin-1-yl)-2-oxoacetamide;trifluoromethylcyclopropane

C12H19F3N2O2 — CID 169114840

IUPAC2-(3-methylpiperidin-1-yl)-2-oxoacetamide;trifluoromethylcyclopropane
SMILESCC1CCCN(C(=O)C(N)=O)C1.FC(F)(F)C1CC1
InChIInChI=1S/C8H14N2O2.C4H5F3/c1-6-3-2-4-10(5-6)8(12)7(9)11;5-4(6,7)3-1-2-3/h6H,2-5H2,1H3,(H2,9,11);3H,1-2H2
InChIKeyBKQWSXPNFHPADU-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.69
Rot. Bonds

About 2-(3-methylpiperidin-1-yl)-2-oxoacetamide;trifluoromethylcyclopropane

2-(3-methylpiperidin-1-yl)-2-oxoacetamide;trifluoromethylcyclopropane (PubChem CID 169114840) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-2-oxoacetamide;trifluoromethylcyclopropane.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-2-oxoacetamide;trifluoromethylcyclopropane
PubChem CID169114840
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name2-(3-methylpiperidin-1-yl)-2-oxoacetamide;trifluoromethylcyclopropane
SMILESCC1CCCN(C(=O)C(N)=O)C1.FC(F)(F)C1CC1
InChIInChI=1S/C8H14N2O2.C4H5F3/c1-6-3-2-4-10(5-6)8(12)7(9)11;5-4(6,7)3-1-2-3/h6H,2-5H2,1H3,(H2,9,11);3H,1-2H2
InChIKeyBKQWSXPNFHPADU-UHFFFAOYSA-N
XLogP1.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-2-oxoacetamide;trifluoromethylcyclopropane?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-2-oxoacetamide;trifluoromethylcyclopropane (CID 169114840) is 2-(3-methylpiperidin-1-yl)-2-oxoacetamide;trifluoromethylcyclopropane.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-2-oxoacetamide;trifluoromethylcyclopropane?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-2-oxoacetamide;trifluoromethylcyclopropane is CC1CCCN(C(=O)C(N)=O)C1.FC(F)(F)C1CC1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-2-oxoacetamide;trifluoromethylcyclopropane?
The InChIKey is BKQWSXPNFHPADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.C4H5F3/c1-6-3-2-4-10(5-6)8(12)7(9)11;5-4(6,7)3-1-2-3/h6H,2-5H2,1H3,(H2,9,11);3H,1-2H2.
What are the key properties of 2-(3-methylpiperidin-1-yl)-2-oxoacetamide;trifluoromethylcyclopropane?
2-(3-methylpiperidin-1-yl)-2-oxoacetamide;trifluoromethylcyclopropane has a molecular weight of 280.29 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-2-oxoacetamide;trifluoromethylcyclopropane is sourced from PubChem (CID 169114840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).