[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone

C17H17N5O — CID 51329202

IUPAC[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C17H17N5O/c23-17(15-10-18-7-8-19-15)22-9-3-4-12(11-22)16-20-13-5-1-2-6-14(13)21-16/h1-2,5-8,10,12H,3-4,9,11H2,(H,20,21)
InChIKeyYFLXZWGVQXHQAB-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.37
Rot. Bonds2

About [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 51329202) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID51329202
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C17H17N5O/c23-17(15-10-18-7-8-19-15)22-9-3-4-12(11-22)16-20-13-5-1-2-6-14(13)21-16/h1-2,5-8,10,12H,3-4,9,11H2,(H,20,21)
InChIKeyYFLXZWGVQXHQAB-UHFFFAOYSA-N
XLogP2.37
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110258855
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 91946785
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 70722462
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 110258767
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
CID 47993008
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 40791033
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone
CID 95868077
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone (CID 51329202) is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is YFLXZWGVQXHQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-17(15-10-18-7-8-19-15)22-9-3-4-12(11-22)16-20-13-5-1-2-6-14(13)21-16/h1-2,5-8,10,12H,3-4,9,11H2,(H,20,21).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 307.36 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 51329202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).