ethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]acetyl]amino]acetate

C18H24N4O3 — CID 16810437

IUPACethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CN1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H24N4O3/c1-2-25-17(24)11-19-16(23)12-22-9-7-13(8-10-22)18-20-14-5-3-4-6-15(14)21-18/h3-6,13H,2,7-12H2,1H3,(H,19,23)(H,20,21)
InChIKeyIRLKSDAWUZYSNU-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.42
Rot. Bonds6

About ethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]acetyl]amino]acetate

ethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]acetyl]amino]acetate (PubChem CID 16810437) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is ethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]acetyl]amino]acetate
PubChem CID16810437
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Nameethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CN1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H24N4O3/c1-2-25-17(24)11-19-16(23)12-22-9-7-13(8-10-22)18-20-14-5-3-4-6-15(14)21-18/h3-6,13H,2,7-12H2,1H3,(H,19,23)(H,20,21)
InChIKeyIRLKSDAWUZYSNU-UHFFFAOYSA-N
XLogP1.42
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]acetyl]amino]acetate (CID 16810437) is ethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]acetyl]amino]acetate is CCOC(=O)CNC(=O)CN1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of ethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]acetyl]amino]acetate?
The InChIKey is IRLKSDAWUZYSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-25-17(24)11-19-16(23)12-22-9-7-13(8-10-22)18-20-14-5-3-4-6-15(14)21-18/h3-6,13H,2,7-12H2,1H3,(H,19,23)(H,20,21).
What are the key properties of ethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]acetyl]amino]acetate?
ethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]acetyl]amino]acetate has a molecular weight of 344.42 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]acetyl]amino]acetate is sourced from PubChem (CID 16810437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).