N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

C17H20F3N3O2 — CID 171904031

IUPACN-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCc1ccc2c(c1)NCCC2NC(=O)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C17H20F3N3O2/c1-9-2-3-10-12(6-7-21-13(10)8-9)22-15(24)11-4-5-14(17(18,19)20)23-16(11)25/h2-3,8,11-12,14,21H,4-7H2,1H3,(H,22,24)(H,23,25)
InChIKeyWUQFPJXXHBMUKJ-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.43
Rot. Bonds2

About N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 171904031) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID171904031
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC NameN-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCc1ccc2c(c1)NCCC2NC(=O)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C17H20F3N3O2/c1-9-2-3-10-12(6-7-21-13(10)8-9)22-15(24)11-4-5-14(17(18,19)20)23-16(11)25/h2-3,8,11-12,14,21H,4-7H2,1H3,(H,22,24)(H,23,25)
InChIKeyWUQFPJXXHBMUKJ-UHFFFAOYSA-N
XLogP2.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903990
N-[(1R,4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904115
N-(2-methoxy-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904055
N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903765
N-(5-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904083
N-[(2S)-5-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904041
N-(6-methyl-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904032
N-[[3-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903967
(3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 39907738
N-cyclopropyl-7-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105454809
N-[2-cyclohexyl-1-(4-methylphenyl)ethyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903961
(3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 98423363

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (CID 171904031) is N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is Cc1ccc2c(c1)NCCC2NC(=O)C1CCC(C(F)(F)F)NC1=O.
What is the InChIKey of N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is WUQFPJXXHBMUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-9-2-3-10-12(6-7-21-13(10)8-9)22-15(24)11-4-5-14(17(18,19)20)23-16(11)25/h2-3,8,11-12,14,21H,4-7H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 171904031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).