5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile

C21H24N4O2 — CID 2976172

IUPAC5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(=O)n2c3ccccc3n(CC(O)CN3CCCCC3)c2c1C#N
InChIInChI=1S/C21H24N4O2/c1-15-11-20(27)25-19-8-4-3-7-18(19)24(21(25)17(15)12-22)14-16(26)13-23-9-5-2-6-10-23/h3-4,7-8,11,16,26H,2,5-6,9-10,13-14H2,1H3
InChIKeyGTCQGPQDRGTCKI-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.28
Rot. Bonds4

About 5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile

5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 2976172) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID2976172
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(=O)n2c3ccccc3n(CC(O)CN3CCCCC3)c2c1C#N
InChIInChI=1S/C21H24N4O2/c1-15-11-20(27)25-19-8-4-3-7-18(19)24(21(25)17(15)12-22)14-16(26)13-23-9-5-2-6-10-23/h3-4,7-8,11,16,26H,2,5-6,9-10,13-14H2,1H3
InChIKeyGTCQGPQDRGTCKI-UHFFFAOYSA-N
XLogP2.28
TPSA73.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile (CID 2976172) is 5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1cc(=O)n2c3ccccc3n(CC(O)CN3CCCCC3)c2c1C#N.
What is the InChIKey of 5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is GTCQGPQDRGTCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-11-20(27)25-19-8-4-3-7-18(19)24(21(25)17(15)12-22)14-16(26)13-23-9-5-2-6-10-23/h3-4,7-8,11,16,26H,2,5-6,9-10,13-14H2,1H3.
What are the key properties of 5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile?
5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 364.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 2976172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).