ethyl 2-piperidin-4-yl-1H-imidazole-5-carboxylate

C11H17N3O2 — CID 19029128

IUPACethyl 2-piperidin-4-yl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1cnc(C2CCNCC2)[nH]1
InChIInChI=1S/C11H17N3O2/c1-2-16-11(15)9-7-13-10(14-9)8-3-5-12-6-4-8/h7-8,12H,2-6H2,1H3,(H,13,14)
InChIKeySUXPYJURYKSOCZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.05
Rot. Bonds3

About ethyl 2-piperidin-4-yl-1H-imidazole-5-carboxylate

ethyl 2-piperidin-4-yl-1H-imidazole-5-carboxylate (PubChem CID 19029128) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is ethyl 2-piperidin-4-yl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-piperidin-4-yl-1H-imidazole-5-carboxylate
PubChem CID19029128
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nameethyl 2-piperidin-4-yl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1cnc(C2CCNCC2)[nH]1
InChIInChI=1S/C11H17N3O2/c1-2-16-11(15)9-7-13-10(14-9)8-3-5-12-6-4-8/h7-8,12H,2-6H2,1H3,(H,13,14)
InChIKeySUXPYJURYKSOCZ-UHFFFAOYSA-N
XLogP1.05
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperidin-4-yl-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 2-piperidin-4-yl-1H-imidazole-5-carboxylate (CID 19029128) is ethyl 2-piperidin-4-yl-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-piperidin-4-yl-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 2-piperidin-4-yl-1H-imidazole-5-carboxylate is CCOC(=O)c1cnc(C2CCNCC2)[nH]1.
What is the InChIKey of ethyl 2-piperidin-4-yl-1H-imidazole-5-carboxylate?
The InChIKey is SUXPYJURYKSOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-16-11(15)9-7-13-10(14-9)8-3-5-12-6-4-8/h7-8,12H,2-6H2,1H3,(H,13,14).
What are the key properties of ethyl 2-piperidin-4-yl-1H-imidazole-5-carboxylate?
ethyl 2-piperidin-4-yl-1H-imidazole-5-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperidin-4-yl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 19029128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).