2-[[(5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ylidene]amino]acetamide

C18H19F3N4O — CID 145336464

IUPAC2-[[(5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ylidene]amino]acetamide
SMILESC[C@H]1C/C(=N\CC(N)=O)CN(c2ccc(C(F)(F)F)c3ncccc23)C1
InChIInChI=1S/C18H19F3N4O/c1-11-7-12(24-8-16(22)26)10-25(9-11)15-5-4-14(18(19,20)21)17-13(15)3-2-6-23-17/h2-6,11H,7-10H2,1H3,(H2,22,26)/b24-12+/t11-/m0/s1
InChIKeyJIWRHZDJKSKEIX-OCXGNILBSA-N
MW364.37 g/mol
LogP3.03
Rot. Bonds3

About 2-[[(5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ylidene]amino]acetamide

2-[[(5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ylidene]amino]acetamide (PubChem CID 145336464) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-[[(5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ylidene]amino]acetamide.

Molecular Properties

Compound Name2-[[(5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ylidene]amino]acetamide
PubChem CID145336464
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name2-[[(5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ylidene]amino]acetamide
SMILESC[C@H]1C/C(=N\CC(N)=O)CN(c2ccc(C(F)(F)F)c3ncccc23)C1
InChIInChI=1S/C18H19F3N4O/c1-11-7-12(24-8-16(22)26)10-25(9-11)15-5-4-14(18(19,20)21)17-13(15)3-2-6-23-17/h2-6,11H,7-10H2,1H3,(H2,22,26)/b24-12+/t11-/m0/s1
InChIKeyJIWRHZDJKSKEIX-OCXGNILBSA-N
XLogP3.03
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]propanamide
CID 156755881
5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol
CID 129241108
(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine
CID 129240522
3-amino-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide
CID 146316950
2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 156694826
(3R)-3-amino-4-hydroxy-1-[(3S,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butan-2-one
CID 160946489
(3S)-3-amino-4-hydroxy-1-[(3S,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butan-2-one
CID 152826442
4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine
CID 174114905
3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide
CID 166776961
2-(1-aminocyclohexyl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 166776942
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate
CID 129275640
ethane;methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate
CID 145336530

Frequently Asked Questions

What is the IUPAC name of 2-[[(5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ylidene]amino]acetamide?
The IUPAC name of 2-[[(5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ylidene]amino]acetamide (CID 145336464) is 2-[[(5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ylidene]amino]acetamide.
What is the SMILES notation for 2-[[(5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ylidene]amino]acetamide?
The canonical SMILES for 2-[[(5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ylidene]amino]acetamide is C[C@H]1C/C(=N\CC(N)=O)CN(c2ccc(C(F)(F)F)c3ncccc23)C1.
What is the InChIKey of 2-[[(5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ylidene]amino]acetamide?
The InChIKey is JIWRHZDJKSKEIX-OCXGNILBSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-11-7-12(24-8-16(22)26)10-25(9-11)15-5-4-14(18(19,20)21)17-13(15)3-2-6-23-17/h2-6,11H,7-10H2,1H3,(H2,22,26)/b24-12+/t11-/m0/s1.
What are the key properties of 2-[[(5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ylidene]amino]acetamide?
2-[[(5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ylidene]amino]acetamide has a molecular weight of 364.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ylidene]amino]acetamide is sourced from PubChem (CID 145336464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).