3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone

C19H18FN3O2 — CID 70779246

IUPAC3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C19H18FN3O2/c20-14-2-1-3-16(11-14)25-15-6-8-23(9-7-15)19(24)13-4-5-17-18(10-13)22-12-21-17/h1-5,10-12,15H,6-9H2,(H,21,22)
InChIKeyKJDQJGJKAWVCIL-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.39
Rot. Bonds3

About 3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone

3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone (PubChem CID 70779246) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
PubChem CID70779246
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C19H18FN3O2/c20-14-2-1-3-16(11-14)25-15-6-8-23(9-7-15)19(24)13-4-5-17-18(10-13)22-12-21-17/h1-5,10-12,15H,6-9H2,(H,21,22)
InChIKeyKJDQJGJKAWVCIL-UHFFFAOYSA-N
XLogP3.39
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90558946
3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 37092543
3H-benzimidazol-5-yl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 99200972
[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95811364
3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586479
3H-benzimidazol-5-yl-[(3R)-3-(4-fluorophenyl)azepan-1-yl]methanone
CID 99873270
1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
CID 110483748
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156
3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591860
N-[[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
CID 108932762
[4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
CID 70771795

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone (CID 70779246) is 3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone is O=C(c1ccc2nc[nH]c2c1)N1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of 3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone?
The InChIKey is KJDQJGJKAWVCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-14-2-1-3-16(11-14)25-15-6-8-23(9-7-15)19(24)13-4-5-17-18(10-13)22-12-21-17/h1-5,10-12,15H,6-9H2,(H,21,22).
What are the key properties of 3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone?
3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone has a molecular weight of 339.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 70779246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).