N-[3-(3-methylpiperidin-1-yl)propyl]-4-(trifluoromethyl)quinoline-3-carboxamide

C20H24F3N3O — CID 78885440

IUPACN-[3-(3-methylpiperidin-1-yl)propyl]-4-(trifluoromethyl)quinoline-3-carboxamide
SMILESCC1CCCN(CCCNC(=O)c2cnc3ccccc3c2C(F)(F)F)C1
InChIInChI=1S/C20H24F3N3O/c1-14-6-4-10-26(13-14)11-5-9-24-19(27)16-12-25-17-8-3-2-7-15(17)18(16)20(21,22)23/h2-3,7-8,12,14H,4-6,9-11,13H2,1H3,(H,24,27)
InChIKeyWSTQQXKVLJOKSK-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.11
Rot. Bonds5

About N-[3-(3-methylpiperidin-1-yl)propyl]-4-(trifluoromethyl)quinoline-3-carboxamide

N-[3-(3-methylpiperidin-1-yl)propyl]-4-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 78885440) has the molecular formula C20H24F3N3O and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[3-(3-methylpiperidin-1-yl)propyl]-4-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperidin-1-yl)propyl]-4-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID78885440
Molecular FormulaC20H24F3N3O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC NameN-[3-(3-methylpiperidin-1-yl)propyl]-4-(trifluoromethyl)quinoline-3-carboxamide
SMILESCC1CCCN(CCCNC(=O)c2cnc3ccccc3c2C(F)(F)F)C1
InChIInChI=1S/C20H24F3N3O/c1-14-6-4-10-26(13-14)11-5-9-24-19(27)16-12-25-17-8-3-2-7-15(17)18(16)20(21,22)23/h2-3,7-8,12,14H,4-6,9-11,13H2,1H3,(H,24,27)
InChIKeyWSTQQXKVLJOKSK-UHFFFAOYSA-N
XLogP4.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 94467076
N-[3-(3-methylpiperidin-1-yl)propyl]furo[3,2-b]quinoxaline-3-carboxamide
CID 3239334
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720
N-[4-(3-methylpiperidin-1-yl)butyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55717539
2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 92584070
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 92869928
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
CID 94119841
5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide
CID 51948414
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
N-[2-(benzylsulfamoyl)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide
CID 78889434

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-4-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-4-(trifluoromethyl)quinoline-3-carboxamide (CID 78885440) is N-[3-(3-methylpiperidin-1-yl)propyl]-4-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-[3-(3-methylpiperidin-1-yl)propyl]-4-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for N-[3-(3-methylpiperidin-1-yl)propyl]-4-(trifluoromethyl)quinoline-3-carboxamide is CC1CCCN(CCCNC(=O)c2cnc3ccccc3c2C(F)(F)F)C1.
What is the InChIKey of N-[3-(3-methylpiperidin-1-yl)propyl]-4-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is WSTQQXKVLJOKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O/c1-14-6-4-10-26(13-14)11-5-9-24-19(27)16-12-25-17-8-3-2-7-15(17)18(16)20(21,22)23/h2-3,7-8,12,14H,4-6,9-11,13H2,1H3,(H,24,27).
What are the key properties of N-[3-(3-methylpiperidin-1-yl)propyl]-4-(trifluoromethyl)quinoline-3-carboxamide?
N-[3-(3-methylpiperidin-1-yl)propyl]-4-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 379.43 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpiperidin-1-yl)propyl]-4-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 78885440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).