N-[1-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide

C20H18F4N4O — CID 133440284

IUPACN-[1-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(NC1CN(c2nc3ccccc3[nH]2)CCC1c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C20H18F4N4O/c21-13-7-5-12(6-8-13)14-9-10-28(11-17(14)25-18(29)20(22,23)24)19-26-15-3-1-2-4-16(15)27-19/h1-8,14,17H,9-11H2,(H,25,29)(H,26,27)
InChIKeyAKXUXKYGCPCWQH-UHFFFAOYSA-N
MW406.38 g/mol
LogP3.74
Rot. Bonds3

About N-[1-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide

N-[1-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 133440284) has the molecular formula C20H18F4N4O and a molecular weight of 406.38 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
PubChem CID133440284
Molecular FormulaC20H18F4N4O
Molecular Weight406.38 g/mol
Exact Mass406.14
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(NC1CN(c2nc3ccccc3[nH]2)CCC1c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C20H18F4N4O/c21-13-7-5-12(6-8-13)14-9-10-28(11-17(14)25-18(29)20(22,23)24)19-26-15-3-1-2-4-16(15)27-19/h1-8,14,17H,9-11H2,(H,25,29)(H,26,27)
InChIKeyAKXUXKYGCPCWQH-UHFFFAOYSA-N
XLogP3.74
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide
CID 133440290
N-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440232
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide
CID 84597675
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440214
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
3-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]amino]-2,2-dimethyl-3-oxopropanoic acid;2,2,2-trifluoroacetic acid
CID 167822464
tert-butyl N-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]carbamate
CID 71632096
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide
CID 133440300
N-[(3S,4S)-1-(2-cyanoethyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 129379016
2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole
CID 155941941
2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole
CID 133409902
1-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 122176153

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide (CID 133440284) is N-[1-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide is O=C(NC1CN(c2nc3ccccc3[nH]2)CCC1c1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is AKXUXKYGCPCWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4O/c21-13-7-5-12(6-8-13)14-9-10-28(11-17(14)25-18(29)20(22,23)24)19-26-15-3-1-2-4-16(15)27-19/h1-8,14,17H,9-11H2,(H,25,29)(H,26,27).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
N-[1-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 406.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 133440284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).