N-[6-methyl-8-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-quinolizin-3-yl]acetamide

C13H19F3N2O — CID 143549937

IUPACN-[6-methyl-8-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-quinolizin-3-yl]acetamide
SMILESCC(=O)NC1CCC2=CC(C(F)(F)F)CC(C)N2C1
InChIInChI=1S/C13H19F3N2O/c1-8-5-10(13(14,15)16)6-12-4-3-11(7-18(8)12)17-9(2)19/h6,8,10-11H,3-5,7H2,1-2H3,(H,17,19)
InChIKeySMWPHMJQYRIPJO-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.44
Rot. Bonds1

About N-[6-methyl-8-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-quinolizin-3-yl]acetamide

N-[6-methyl-8-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-quinolizin-3-yl]acetamide (PubChem CID 143549937) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[6-methyl-8-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-quinolizin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-methyl-8-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-quinolizin-3-yl]acetamide
PubChem CID143549937
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN-[6-methyl-8-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-quinolizin-3-yl]acetamide
SMILESCC(=O)NC1CCC2=CC(C(F)(F)F)CC(C)N2C1
InChIInChI=1S/C13H19F3N2O/c1-8-5-10(13(14,15)16)6-12-4-3-11(7-18(8)12)17-9(2)19/h6,8,10-11H,3-5,7H2,1-2H3,(H,17,19)
InChIKeySMWPHMJQYRIPJO-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-[(2-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide
CID 70287945
N-[2-[4-[(3-fluorocyclohex-2-en-1-yl)methyl]piperazin-1-yl]ethyl]acetamide
CID 70289362
2,2,2-trifluoro-N-[(6-piperidin-4-yl-1,2-dihydropyridin-2-yl)methyl]acetamide;dihydrochloride
CID 87326744
2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-6-yl)methyl]acetamide;dihydrochloride
CID 87326746
2-[1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethenyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane
CID 143085677
1-[4-[[6-(Difluoromethyl)cyclohexa-1,5-dien-1-yl]amino]piperidin-1-yl]ethanone
CID 167456997
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
2-[1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethenyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 143085678
N-[3-methyl-2-(trifluoromethyl)-2,3,5,6,7,8-hexahydroindolizin-6-yl]acetamide
CID 162604750
N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohex-3-en-1-yl]acetamide
CID 68272063
N-[(4E)-4-(3-aminopropylidene)-2,3,4a,5,8,8a-hexahydro-1H-quinolin-6-yl]-N-ethylacetamide
CID 70989799

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-8-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-quinolizin-3-yl]acetamide?
The IUPAC name of N-[6-methyl-8-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-quinolizin-3-yl]acetamide (CID 143549937) is N-[6-methyl-8-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-quinolizin-3-yl]acetamide.
What is the SMILES notation for N-[6-methyl-8-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-quinolizin-3-yl]acetamide?
The canonical SMILES for N-[6-methyl-8-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-quinolizin-3-yl]acetamide is CC(=O)NC1CCC2=CC(C(F)(F)F)CC(C)N2C1.
What is the InChIKey of N-[6-methyl-8-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-quinolizin-3-yl]acetamide?
The InChIKey is SMWPHMJQYRIPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-8-5-10(13(14,15)16)6-12-4-3-11(7-18(8)12)17-9(2)19/h6,8,10-11H,3-5,7H2,1-2H3,(H,17,19).
What are the key properties of N-[6-methyl-8-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-quinolizin-3-yl]acetamide?
N-[6-methyl-8-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-quinolizin-3-yl]acetamide has a molecular weight of 276.30 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-8-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-quinolizin-3-yl]acetamide is sourced from PubChem (CID 143549937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).