5-methyl-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]thiophene-2-carboxamide

C21H20F3N3OS — CID 133405243

IUPAC5-methyl-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(c3ccnc4cc(C(F)(F)F)ccc34)CC2)s1
InChIInChI=1S/C21H20F3N3OS/c1-13-2-5-19(29-13)20(28)26-15-7-10-27(11-8-15)18-6-9-25-17-12-14(21(22,23)24)3-4-16(17)18/h2-6,9,12,15H,7-8,10-11H2,1H3,(H,26,28)
InChIKeyOJWVVTUOWVBAOK-UHFFFAOYSA-N
MW419.47 g/mol
LogP5.02
Rot. Bonds3

About 5-methyl-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]thiophene-2-carboxamide

5-methyl-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 133405243) has the molecular formula C21H20F3N3OS and a molecular weight of 419.47 g/mol. Its IUPAC name is 5-methyl-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]thiophene-2-carboxamide
PubChem CID133405243
Molecular FormulaC21H20F3N3OS
Molecular Weight419.47 g/mol
Exact Mass419.13
IUPAC Name5-methyl-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(c3ccnc4cc(C(F)(F)F)ccc34)CC2)s1
InChIInChI=1S/C21H20F3N3OS/c1-13-2-5-19(29-13)20(28)26-15-7-10-27(11-8-15)18-6-9-25-17-12-14(21(22,23)24)3-4-16(17)18/h2-6,9,12,15H,7-8,10-11H2,1H3,(H,26,28)
InChIKeyOJWVVTUOWVBAOK-UHFFFAOYSA-N
XLogP5.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.47
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]cyclopropanesulfonamide
CID 154575895
4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133448497
N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide
CID 175651784
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-4-methylbenzamide;2,4,6-trichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]benzamide
CID 159324609
N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide
CID 163354863
2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 24830997
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432411
4,5-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46485755
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
oxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
CID 171996126
4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133402449
5-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 121142594

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]thiophene-2-carboxamide (CID 133405243) is 5-methyl-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]thiophene-2-carboxamide is Cc1ccc(C(=O)NC2CCN(c3ccnc4cc(C(F)(F)F)ccc34)CC2)s1.
What is the InChIKey of 5-methyl-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is OJWVVTUOWVBAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3OS/c1-13-2-5-19(29-13)20(28)26-15-7-10-27(11-8-15)18-6-9-25-17-12-14(21(22,23)24)3-4-16(17)18/h2-6,9,12,15H,7-8,10-11H2,1H3,(H,26,28).
What are the key properties of 5-methyl-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]thiophene-2-carboxamide?
5-methyl-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 419.47 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 133405243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).