2,2,2-trifluoro-N-[[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl]acetamide

C18H17F6N3O2 — CID 87289919

IUPAC2,2,2-trifluoro-N-[[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl]acetamide
SMILESO=C(NCC1CCCCN1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1)C(F)(F)F
InChIInChI=1S/C18H17F6N3O2/c19-17(20,21)13-8-15(28)26-14-5-4-10(7-12(13)14)27-6-2-1-3-11(27)9-25-16(29)18(22,23)24/h4-5,7-8,11H,1-3,6,9H2,(H,25,29)(H,26,28)
InChIKeyRSZLYDAQLWDWBC-UHFFFAOYSA-N
MW421.34 g/mol
LogP3.58
Rot. Bonds3

About 2,2,2-trifluoro-N-[[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl]acetamide

2,2,2-trifluoro-N-[[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl]acetamide (PubChem CID 87289919) has the molecular formula C18H17F6N3O2 and a molecular weight of 421.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl]acetamide
PubChem CID87289919
Molecular FormulaC18H17F6N3O2
Molecular Weight421.34 g/mol
Exact Mass421.12
IUPAC Name2,2,2-trifluoro-N-[[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl]acetamide
SMILESO=C(NCC1CCCCN1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1)C(F)(F)F
InChIInChI=1S/C18H17F6N3O2/c19-17(20,21)13-8-15(28)26-14-5-4-10(7-12(13)14)27-6-2-1-3-11(27)9-25-16(29)18(22,23)24/h4-5,7-8,11H,1-3,6,9H2,(H,25,29)(H,26,28)
InChIKeyRSZLYDAQLWDWBC-UHFFFAOYSA-N
XLogP3.58
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl]acetamide with MolForge

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Related Compounds

6-[2-(bromomethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279088
6-[(2R)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 20587850
1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidine-2-carbaldehyde
CID 22279263
6-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 162602765
6-[(2R)-4-hydroxy-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 174505960
7-[2-(hydroxymethyl)piperidin-1-yl]-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one
CID 23156872
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
CID 99883062
6-[2-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 87528638
6-[(2S,5R)-2-methyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 87467043
2-(methoxymethyl)-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidine-2-sulfonic acid
CID 157347377
methane;2-[(2R,5R)-5-methyl-1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]pyrrolidin-2-yl]ethyl N-[4-(cyclohexylmethylsulfamoyl)phenyl]carbamate
CID 161184051
6-[(2S,5R)-2-phenyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 87467163

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl]acetamide (CID 87289919) is 2,2,2-trifluoro-N-[[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl]acetamide is O=C(NCC1CCCCN1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl]acetamide?
The InChIKey is RSZLYDAQLWDWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F6N3O2/c19-17(20,21)13-8-15(28)26-14-5-4-10(7-12(13)14)27-6-2-1-3-11(27)9-25-16(29)18(22,23)24/h4-5,7-8,11H,1-3,6,9H2,(H,25,29)(H,26,28).
What are the key properties of 2,2,2-trifluoro-N-[[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl]acetamide has a molecular weight of 421.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]piperidin-2-yl]methyl]acetamide is sourced from PubChem (CID 87289919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).