2-(4-fluoropiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide

C22H26F4N4O — CID 137424887

IUPAC2-(4-fluoropiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide
SMILESCc1ccnc2c(C(F)(F)F)ccc(N3CCC(NC(=O)CC4(F)CCNCC4)C3)c12
InChIInChI=1S/C22H26F4N4O/c1-14-4-8-28-20-16(22(24,25)26)2-3-17(19(14)20)30-11-5-15(13-30)29-18(31)12-21(23)6-9-27-10-7-21/h2-4,8,15,27H,5-7,9-13H2,1H3,(H,29,31)
InChIKeyJHGVVTRUUUZQFU-UHFFFAOYSA-N
MW438.47 g/mol
LogP3.74
Rot. Bonds4

About 2-(4-fluoropiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide

2-(4-fluoropiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide (PubChem CID 137424887) has the molecular formula C22H26F4N4O and a molecular weight of 438.47 g/mol. Its IUPAC name is 2-(4-fluoropiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluoropiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide
PubChem CID137424887
Molecular FormulaC22H26F4N4O
Molecular Weight438.47 g/mol
Exact Mass438.20
IUPAC Name2-(4-fluoropiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide
SMILESCc1ccnc2c(C(F)(F)F)ccc(N3CCC(NC(=O)CC4(F)CCNCC4)C3)c12
InChIInChI=1S/C22H26F4N4O/c1-14-4-8-28-20-16(22(24,25)26)2-3-17(19(14)20)30-11-5-15(13-30)29-18(31)12-21(23)6-9-27-10-7-21/h2-4,8,15,27H,5-7,9-13H2,1H3,(H,29,31)
InChIKeyJHGVVTRUUUZQFU-UHFFFAOYSA-N
XLogP3.74
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluoropiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide 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

(S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-((S)-2,2,2-trifluoro-1-(4-(quinolin-6-yl)phenyl)ethylamino)pentanamide
CID 46231379
QL-Xii-03
CID 73776206
1-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]indol-8-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]pyridin-2-one
CID 49869209
1-(9-Methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-one
CID 50903153
2,2,4,10-Tetramethyl-6-trifluoromethyl-1,2,3,4-tetrahydro-pyrido[3,2-g]quinoline
CID 9818071
(R)-N-(6-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)quinolin-7-yl)acetamide
CID 10072252
N-(2-(pyridin-2-yl)ethyl)-1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidine-4-carboxamide
CID 11568741
N-((1-methyl-1H-pyrrol-2-yl)methyl)-2-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)acetamide
CID 11597758
N-(phenyl(pyridin-2-yl)methyl)-2-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)acetamide
CID 11706443
4-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide
CID 18435984
4-(4-fluorophenyl)-N-[6-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436085
5-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pentanamide
CID 18436119

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoropiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-fluoropiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide (CID 137424887) is 2-(4-fluoropiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluoropiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-fluoropiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide is Cc1ccnc2c(C(F)(F)F)ccc(N3CCC(NC(=O)CC4(F)CCNCC4)C3)c12.
What is the InChIKey of 2-(4-fluoropiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is JHGVVTRUUUZQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F4N4O/c1-14-4-8-28-20-16(22(24,25)26)2-3-17(19(14)20)30-11-5-15(13-30)29-18(31)12-21(23)6-9-27-10-7-21/h2-4,8,15,27H,5-7,9-13H2,1H3,(H,29,31).
What are the key properties of 2-(4-fluoropiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide?
2-(4-fluoropiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 438.47 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoropiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 137424887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).