ethyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate

C15H19N3O2 — CID 3241539

IUPACethyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H19N3O2/c1-2-20-15(19)18-9-7-11(8-10-18)14-16-12-5-3-4-6-13(12)17-14/h3-6,11H,2,7-10H2,1H3,(H,16,17)
InChIKeyKZTGKKWHYBIJER-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.90
Rot. Bonds2

About ethyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate

ethyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate (PubChem CID 3241539) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
PubChem CID3241539
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H19N3O2/c1-2-20-15(19)18-9-7-11(8-10-18)14-16-12-5-3-4-6-13(12)17-14/h3-6,11H,2,7-10H2,1H3,(H,16,17)
InChIKeyKZTGKKWHYBIJER-UHFFFAOYSA-N
XLogP2.90
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate (CID 3241539) is ethyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of ethyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate?
The InChIKey is KZTGKKWHYBIJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-20-15(19)18-9-7-11(8-10-18)14-16-12-5-3-4-6-13(12)17-14/h3-6,11H,2,7-10H2,1H3,(H,16,17).
What are the key properties of ethyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate?
ethyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1H-benzimidazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 3241539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).