3-(benzimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one

C21H24N4O2 — CID 56756867

IUPAC3-(benzimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
SMILESCc1ccc(C2(O)CCN(C(=O)CCn3cnc4ccccc43)CC2)nc1
InChIInChI=1S/C21H24N4O2/c1-16-6-7-19(22-14-16)21(27)9-12-24(13-10-21)20(26)8-11-25-15-23-17-4-2-3-5-18(17)25/h2-7,14-15,27H,8-13H2,1H3
InChIKeyJFCKQLABBYQXBI-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.64
Rot. Bonds4

About 3-(benzimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one

3-(benzimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one (PubChem CID 56756867) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
PubChem CID56756867
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-(benzimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
SMILESCc1ccc(C2(O)CCN(C(=O)CCn3cnc4ccccc43)CC2)nc1
InChIInChI=1S/C21H24N4O2/c1-16-6-7-19(22-14-16)21(27)9-12-24(13-10-21)20(26)8-11-25-15-23-17-4-2-3-5-18(17)25/h2-7,14-15,27H,8-13H2,1H3
InChIKeyJFCKQLABBYQXBI-UHFFFAOYSA-N
XLogP2.64
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(benzimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one (CID 56756867) is 3-(benzimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(benzimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(benzimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one is Cc1ccc(C2(O)CCN(C(=O)CCn3cnc4ccccc43)CC2)nc1.
What is the InChIKey of 3-(benzimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The InChIKey is JFCKQLABBYQXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16-6-7-19(22-14-16)21(27)9-12-24(13-10-21)20(26)8-11-25-15-23-17-4-2-3-5-18(17)25/h2-7,14-15,27H,8-13H2,1H3.
What are the key properties of 3-(benzimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one?
3-(benzimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one has a molecular weight of 364.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 56756867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).