3-piperidin-4-yl-3aH-benzimidazol-2-one

C12H15N3O — CID 71773405

IUPAC3-piperidin-4-yl-3aH-benzimidazol-2-one
SMILESO=C1N=C2C=CC=CC2N1C1CCNCC1
InChIInChI=1S/C12H15N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-4,9,11,13H,5-8H2
InChIKeyUSSWSHLLWJXCRD-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.11
Rot. Bonds1

About 3-piperidin-4-yl-3aH-benzimidazol-2-one

3-piperidin-4-yl-3aH-benzimidazol-2-one (PubChem CID 71773405) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-piperidin-4-yl-3aH-benzimidazol-2-one.

Molecular Properties

Compound Name3-piperidin-4-yl-3aH-benzimidazol-2-one
PubChem CID71773405
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-piperidin-4-yl-3aH-benzimidazol-2-one
SMILESO=C1N=C2C=CC=CC2N1C1CCNCC1
InChIInChI=1S/C12H15N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-4,9,11,13H,5-8H2
InChIKeyUSSWSHLLWJXCRD-UHFFFAOYSA-N
XLogP1.11
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-3aH-benzimidazol-2-one?
The IUPAC name of 3-piperidin-4-yl-3aH-benzimidazol-2-one (CID 71773405) is 3-piperidin-4-yl-3aH-benzimidazol-2-one.
What is the SMILES notation for 3-piperidin-4-yl-3aH-benzimidazol-2-one?
The canonical SMILES for 3-piperidin-4-yl-3aH-benzimidazol-2-one is O=C1N=C2C=CC=CC2N1C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-3aH-benzimidazol-2-one?
The InChIKey is USSWSHLLWJXCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-4,9,11,13H,5-8H2.
What are the key properties of 3-piperidin-4-yl-3aH-benzimidazol-2-one?
3-piperidin-4-yl-3aH-benzimidazol-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-3aH-benzimidazol-2-one is sourced from PubChem (CID 71773405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).