4-(1-methylpiperidin-4-yl)-N-quinolin-5-yl-3-(trifluoromethyl)benzamide

C23H22F3N3O — CID 171471692

IUPAC4-(1-methylpiperidin-4-yl)-N-quinolin-5-yl-3-(trifluoromethyl)benzamide
SMILESCN1CCC(c2ccc(C(=O)Nc3cccc4ncccc34)cc2C(F)(F)F)CC1
InChIInChI=1S/C23H22F3N3O/c1-29-12-9-15(10-13-29)17-8-7-16(14-19(17)23(24,25)26)22(30)28-21-6-2-5-20-18(21)4-3-11-27-20/h2-8,11,14-15H,9-10,12-13H2,1H3,(H,28,30)
InChIKeyJODHOBNVAWJUOH-UHFFFAOYSA-N
MW413.44 g/mol
LogP5.32
Rot. Bonds3

About 4-(1-methylpiperidin-4-yl)-N-quinolin-5-yl-3-(trifluoromethyl)benzamide

4-(1-methylpiperidin-4-yl)-N-quinolin-5-yl-3-(trifluoromethyl)benzamide (PubChem CID 171471692) has the molecular formula C23H22F3N3O and a molecular weight of 413.44 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)-N-quinolin-5-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)-N-quinolin-5-yl-3-(trifluoromethyl)benzamide
PubChem CID171471692
Molecular FormulaC23H22F3N3O
Molecular Weight413.44 g/mol
Exact Mass413.17
IUPAC Name4-(1-methylpiperidin-4-yl)-N-quinolin-5-yl-3-(trifluoromethyl)benzamide
SMILESCN1CCC(c2ccc(C(=O)Nc3cccc4ncccc34)cc2C(F)(F)F)CC1
InChIInChI=1S/C23H22F3N3O/c1-29-12-9-15(10-13-29)17-8-7-16(14-19(17)23(24,25)26)22(30)28-21-6-2-5-20-18(21)4-3-11-27-20/h2-8,11,14-15H,9-10,12-13H2,1H3,(H,28,30)
InChIKeyJODHOBNVAWJUOH-UHFFFAOYSA-N
XLogP5.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.44
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1-methylpiperidin-4-yl)-N-quinolin-5-yl-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methylpiperazin-1-yl)-N-quinolin-8-yl-3-(trifluoromethyl)benzamide
CID 171512798
N-quinolin-5-yl-2-(trifluoromethyl)benzamide
CID 26242319
2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide
CID 51205597
5-(quinolin-5-ylcarbamoyl)furan-3-carboxylic acid
CID 104607003
1-methyl-4-oxo-N-quinolin-5-yl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 122137446
4-(methylamino)-N-quinolin-5-ylbenzamide
CID 62187273
3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
CID 103751909
4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
CID 115745134
4-methylsulfinyl-N-quinolin-5-ylbenzamide
CID 51182481
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162
4-methyl-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 53307373

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)-N-quinolin-5-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-(1-methylpiperidin-4-yl)-N-quinolin-5-yl-3-(trifluoromethyl)benzamide (CID 171471692) is 4-(1-methylpiperidin-4-yl)-N-quinolin-5-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)-N-quinolin-5-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)-N-quinolin-5-yl-3-(trifluoromethyl)benzamide is CN1CCC(c2ccc(C(=O)Nc3cccc4ncccc34)cc2C(F)(F)F)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)-N-quinolin-5-yl-3-(trifluoromethyl)benzamide?
The InChIKey is JODHOBNVAWJUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O/c1-29-12-9-15(10-13-29)17-8-7-16(14-19(17)23(24,25)26)22(30)28-21-6-2-5-20-18(21)4-3-11-27-20/h2-8,11,14-15H,9-10,12-13H2,1H3,(H,28,30).
What are the key properties of 4-(1-methylpiperidin-4-yl)-N-quinolin-5-yl-3-(trifluoromethyl)benzamide?
4-(1-methylpiperidin-4-yl)-N-quinolin-5-yl-3-(trifluoromethyl)benzamide has a molecular weight of 413.44 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)-N-quinolin-5-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 171471692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).