1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone

C15H19N3O2 — CID 1430429

IUPAC1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H19N3O2/c1-20-10-14(19)18-8-6-11(7-9-18)15-16-12-4-2-3-5-13(12)17-15/h2-5,11H,6-10H2,1H3,(H,16,17)
InChIKeyBCTFMMDMMWNZHN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.92
Rot. Bonds3

About 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone

1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone (PubChem CID 1430429) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
PubChem CID1430429
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H19N3O2/c1-20-10-14(19)18-8-6-11(7-9-18)15-16-12-4-2-3-5-13(12)17-15/h2-5,11H,6-10H2,1H3,(H,16,17)
InChIKeyBCTFMMDMMWNZHN-UHFFFAOYSA-N
XLogP1.92
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone (CID 1430429) is 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone?
The InChIKey is BCTFMMDMMWNZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-10-14(19)18-8-6-11(7-9-18)15-16-12-4-2-3-5-13(12)17-15/h2-5,11H,6-10H2,1H3,(H,16,17).
What are the key properties of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone?
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone has a molecular weight of 273.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 1430429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).