ethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate

C14H23N3O2 — CID 114706340

IUPACethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate
SMILESCCOC(=O)CCCn1cncc1C1CCCCN1
InChIInChI=1S/C14H23N3O2/c1-2-19-14(18)7-5-9-17-11-15-10-13(17)12-6-3-4-8-16-12/h10-12,16H,2-9H2,1H3
InChIKeyQTMBJUYZBXWAJX-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.04
Rot. Bonds6

About ethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate

ethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate (PubChem CID 114706340) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate
PubChem CID114706340
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate
SMILESCCOC(=O)CCCn1cncc1C1CCCCN1
InChIInChI=1S/C14H23N3O2/c1-2-19-14(18)7-5-9-17-11-15-10-13(17)12-6-3-4-8-16-12/h10-12,16H,2-9H2,1H3
InChIKeyQTMBJUYZBXWAJX-UHFFFAOYSA-N
XLogP2.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate?
The IUPAC name of ethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate (CID 114706340) is ethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate.
What is the SMILES notation for ethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate?
The canonical SMILES for ethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate is CCOC(=O)CCCn1cncc1C1CCCCN1.
What is the InChIKey of ethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate?
The InChIKey is QTMBJUYZBXWAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-19-14(18)7-5-9-17-11-15-10-13(17)12-6-3-4-8-16-12/h10-12,16H,2-9H2,1H3.
What are the key properties of ethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate?
ethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate has a molecular weight of 265.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate is sourced from PubChem (CID 114706340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).