N-[3-methyl-2-(trifluoromethyl)-2,3,5,6,7,8-hexahydroindolizin-6-yl]acetamide

C12H17F3N2O — CID 162604750

IUPACN-[3-methyl-2-(trifluoromethyl)-2,3,5,6,7,8-hexahydroindolizin-6-yl]acetamide
SMILESCC(=O)NC1CCC2=CC(C(F)(F)F)C(C)N2C1
InChIInChI=1S/C12H17F3N2O/c1-7-11(12(13,14)15)5-10-4-3-9(6-17(7)10)16-8(2)18/h5,7,9,11H,3-4,6H2,1-2H3,(H,16,18)
InChIKeyHZUUQHWNFVGAKB-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.05
Rot. Bonds1

About N-[3-methyl-2-(trifluoromethyl)-2,3,5,6,7,8-hexahydroindolizin-6-yl]acetamide

N-[3-methyl-2-(trifluoromethyl)-2,3,5,6,7,8-hexahydroindolizin-6-yl]acetamide (PubChem CID 162604750) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is N-[3-methyl-2-(trifluoromethyl)-2,3,5,6,7,8-hexahydroindolizin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-2-(trifluoromethyl)-2,3,5,6,7,8-hexahydroindolizin-6-yl]acetamide
PubChem CID162604750
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC NameN-[3-methyl-2-(trifluoromethyl)-2,3,5,6,7,8-hexahydroindolizin-6-yl]acetamide
SMILESCC(=O)NC1CCC2=CC(C(F)(F)F)C(C)N2C1
InChIInChI=1S/C12H17F3N2O/c1-7-11(12(13,14)15)5-10-4-3-9(6-17(7)10)16-8(2)18/h5,7,9,11H,3-4,6H2,1-2H3,(H,16,18)
InChIKeyHZUUQHWNFVGAKB-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-methyl-8-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-quinolizin-3-yl]acetamide
CID 143549937
2,2,2-trifluoro-N-[(6-piperidin-4-yl-1,2-dihydropyridin-2-yl)methyl]acetamide
CID 87326745
2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-6-yl)methyl]acetamide
CID 87326747
N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]cyclopent-3-ene-1-carboxamide
CID 128981274
N-[1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989551
N-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129352014
N-[(3S,6R)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129352015
N-[(3S,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129352016
N-[(3R,6R)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129352017
N-[(3R,6S)-1-acetyl-6-(trifluoromethyl)piperidin-3-yl]cyclopent-3-ene-1-carboxamide
CID 129535104
N-[(3S,6R)-1-acetyl-6-(trifluoromethyl)piperidin-3-yl]cyclopent-3-ene-1-carboxamide
CID 129535105
N-[(3S,6S)-1-acetyl-6-(trifluoromethyl)piperidin-3-yl]cyclopent-3-ene-1-carboxamide
CID 129535106

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(trifluoromethyl)-2,3,5,6,7,8-hexahydroindolizin-6-yl]acetamide?
The IUPAC name of N-[3-methyl-2-(trifluoromethyl)-2,3,5,6,7,8-hexahydroindolizin-6-yl]acetamide (CID 162604750) is N-[3-methyl-2-(trifluoromethyl)-2,3,5,6,7,8-hexahydroindolizin-6-yl]acetamide.
What is the SMILES notation for N-[3-methyl-2-(trifluoromethyl)-2,3,5,6,7,8-hexahydroindolizin-6-yl]acetamide?
The canonical SMILES for N-[3-methyl-2-(trifluoromethyl)-2,3,5,6,7,8-hexahydroindolizin-6-yl]acetamide is CC(=O)NC1CCC2=CC(C(F)(F)F)C(C)N2C1.
What is the InChIKey of N-[3-methyl-2-(trifluoromethyl)-2,3,5,6,7,8-hexahydroindolizin-6-yl]acetamide?
The InChIKey is HZUUQHWNFVGAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-7-11(12(13,14)15)5-10-4-3-9(6-17(7)10)16-8(2)18/h5,7,9,11H,3-4,6H2,1-2H3,(H,16,18).
What are the key properties of N-[3-methyl-2-(trifluoromethyl)-2,3,5,6,7,8-hexahydroindolizin-6-yl]acetamide?
N-[3-methyl-2-(trifluoromethyl)-2,3,5,6,7,8-hexahydroindolizin-6-yl]acetamide has a molecular weight of 262.27 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(trifluoromethyl)-2,3,5,6,7,8-hexahydroindolizin-6-yl]acetamide is sourced from PubChem (CID 162604750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).