[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone

C18H16F2N4O — CID 95868077

IUPAC[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone
SMILESO=C(c1ncc(F)cc1F)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H16F2N4O/c19-12-8-13(20)16(21-9-12)18(25)24-7-3-4-11(10-24)17-22-14-5-1-2-6-15(14)23-17/h1-2,5-6,8-9,11H,3-4,7,10H2,(H,22,23)/t11-/m1/s1
InChIKeyLWIXUIWWEJNJGU-LLVKDONJSA-N
MW342.35 g/mol
LogP3.26
Rot. Bonds2

About [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone

[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone (PubChem CID 95868077) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone
PubChem CID95868077
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone
SMILESO=C(c1ncc(F)cc1F)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H16F2N4O/c19-12-8-13(20)16(21-9-12)18(25)24-7-3-4-11(10-24)17-22-14-5-1-2-6-15(14)23-17/h1-2,5-6,8-9,11H,3-4,7,10H2,(H,22,23)/t11-/m1/s1
InChIKeyLWIXUIWWEJNJGU-LLVKDONJSA-N
XLogP3.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 70722462
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
CID 70728098
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone
CID 55498022
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 51928971
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methanone
CID 55639183
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 110258767
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110258855

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone?
The IUPAC name of [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone (CID 95868077) is [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone.
What is the SMILES notation for [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone?
The canonical SMILES for [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone is O=C(c1ncc(F)cc1F)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone?
The InChIKey is LWIXUIWWEJNJGU-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16F2N4O/c19-12-8-13(20)16(21-9-12)18(25)24-7-3-4-11(10-24)17-22-14-5-1-2-6-15(14)23-17/h1-2,5-6,8-9,11H,3-4,7,10H2,(H,22,23)/t11-/m1/s1.
What are the key properties of [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone?
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone has a molecular weight of 342.35 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone is sourced from PubChem (CID 95868077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).