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

C23H29F3N4O — CID 137424879

IUPAC2-(1-methylpiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide
SMILESCc1ccnc2c(C(F)(F)F)ccc(N3CCC(NC(=O)CC4CCN(C)CC4)C3)c12
InChIInChI=1S/C23H29F3N4O/c1-15-5-9-27-22-18(23(24,25)26)3-4-19(21(15)22)30-12-8-17(14-30)28-20(31)13-16-6-10-29(2)11-7-16/h3-5,9,16-17H,6-8,10-14H2,1-2H3,(H,28,31)
InChIKeyCXABMTOYBXBHSO-UHFFFAOYSA-N
MW434.51 g/mol
LogP3.99
Rot. Bonds4

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

2-(1-methylpiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide (PubChem CID 137424879) has the molecular formula C23H29F3N4O and a molecular weight of 434.51 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide
PubChem CID137424879
Molecular FormulaC23H29F3N4O
Molecular Weight434.51 g/mol
Exact Mass434.23
IUPAC Name2-(1-methylpiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide
SMILESCc1ccnc2c(C(F)(F)F)ccc(N3CCC(NC(=O)CC4CCN(C)CC4)C3)c12
InChIInChI=1S/C23H29F3N4O/c1-15-5-9-27-22-18(23(24,25)26)3-4-19(21(15)22)30-12-8-17(14-30)28-20(31)13-16-6-10-29(2)11-7-16/h3-5,9,16-17H,6-8,10-14H2,1-2H3,(H,28,31)
InChIKeyCXABMTOYBXBHSO-UHFFFAOYSA-N
XLogP3.99
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoropiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide
CID 137424887
2-(3,3-difluoropiperidin-4-yl)-N-[1-(4,8-dimethylquinolin-5-yl)pyrrolidin-3-yl]acetamide
CID 137424768
N-[(3R,5S)-5-(1,1-difluoroethyl)-1-(8-methylquinolin-5-yl)piperidin-3-yl]-2-(1-methylpiperidin-4-yl)acetamide
CID 170237844
2-(1-methylpiperidin-4-yl)acetic acid;2-(1-methylpiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]pyrrolidin-3-amine
CID 161053311
2-(1-methylpyrrolidin-3-yl)-N-[(4R)-4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide
CID 142520349
2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 166776978
2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129241327
2-(4-methylpiperazin-1-yl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129241135
2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 156694826
2-(4-methylpiperazin-1-yl)-N-[(3R,5S)-5-(trifluoromethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 156694866
2-cyclohexyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965524
2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide
CID 171994103

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide (CID 137424879) is 2-(1-methylpiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(1-methylpiperidin-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)CC4CCN(C)CC4)C3)c12.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is CXABMTOYBXBHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4O/c1-15-5-9-27-22-18(23(24,25)26)3-4-19(21(15)22)30-12-8-17(14-30)28-20(31)13-16-6-10-29(2)11-7-16/h3-5,9,16-17H,6-8,10-14H2,1-2H3,(H,28,31).
What are the key properties of 2-(1-methylpiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide?
2-(1-methylpiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 434.51 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-N-[1-[4-methyl-8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 137424879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).