1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone

C14H14F3N3O — CID 94811323

IUPAC1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)C(F)(F)F
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)13(21)20-7-3-4-9(8-20)12-18-10-5-1-2-6-11(10)19-12/h1-2,5-6,9H,3-4,7-8H2,(H,18,19)/t9-/m1/s1
InChIKeyCYXHRXPIYGXGPJ-SECBINFHSA-N
MW297.28 g/mol
LogP2.83
Rot. Bonds1

About 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone

1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 94811323) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID94811323
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)C(F)(F)F
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)13(21)20-7-3-4-9(8-20)12-18-10-5-1-2-6-11(10)19-12/h1-2,5-6,9H,3-4,7-8H2,(H,18,19)/t9-/m1/s1
InChIKeyCYXHRXPIYGXGPJ-SECBINFHSA-N
XLogP2.83
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)ethanone
CID 97249647
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
(2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 66785121
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(benzotriazol-1-yl)ethanone
CID 46542392
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 70722462
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone
CID 95868077
3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
CID 42934572

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 94811323) is 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone is O=C(N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)C(F)(F)F.
What is the InChIKey of 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is CYXHRXPIYGXGPJ-SECBINFHSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)13(21)20-7-3-4-9(8-20)12-18-10-5-1-2-6-11(10)19-12/h1-2,5-6,9H,3-4,7-8H2,(H,18,19)/t9-/m1/s1.
What are the key properties of 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 297.28 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 94811323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).