(1-methylpiperidin-4-yl) 1H-benzimidazole-4-carboxylate

C14H17N3O2 — CID 15544721

IUPAC(1-methylpiperidin-4-yl) 1H-benzimidazole-4-carboxylate
SMILESCN1CCC(OC(=O)c2cccc3[nH]cnc23)CC1
InChIInChI=1S/C14H17N3O2/c1-17-7-5-10(6-8-17)19-14(18)11-3-2-4-12-13(11)16-9-15-12/h2-4,9-10H,5-8H2,1H3,(H,15,16)
InChIKeyGVHZBCMYHZGMMR-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.81
Rot. Bonds2

About (1-methylpiperidin-4-yl) 1H-benzimidazole-4-carboxylate

(1-methylpiperidin-4-yl) 1H-benzimidazole-4-carboxylate (PubChem CID 15544721) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 1H-benzimidazole-4-carboxylate
PubChem CID15544721
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(1-methylpiperidin-4-yl) 1H-benzimidazole-4-carboxylate
SMILESCN1CCC(OC(=O)c2cccc3[nH]cnc23)CC1
InChIInChI=1S/C14H17N3O2/c1-17-7-5-10(6-8-17)19-14(18)11-3-2-4-12-13(11)16-9-15-12/h2-4,9-10H,5-8H2,1H3,(H,15,16)
InChIKeyGVHZBCMYHZGMMR-UHFFFAOYSA-N
XLogP1.81
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 1H-benzimidazole-4-carboxylate?
The IUPAC name of (1-methylpiperidin-4-yl) 1H-benzimidazole-4-carboxylate (CID 15544721) is (1-methylpiperidin-4-yl) 1H-benzimidazole-4-carboxylate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 1H-benzimidazole-4-carboxylate?
The canonical SMILES for (1-methylpiperidin-4-yl) 1H-benzimidazole-4-carboxylate is CN1CCC(OC(=O)c2cccc3[nH]cnc23)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) 1H-benzimidazole-4-carboxylate?
The InChIKey is GVHZBCMYHZGMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17-7-5-10(6-8-17)19-14(18)11-3-2-4-12-13(11)16-9-15-12/h2-4,9-10H,5-8H2,1H3,(H,15,16).
What are the key properties of (1-methylpiperidin-4-yl) 1H-benzimidazole-4-carboxylate?
(1-methylpiperidin-4-yl) 1H-benzimidazole-4-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 15544721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).