ethyl 1-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate

C17H29N3O3 — CID 42096266

IUPACethyl 1-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOC)CCN(Cc2nccn2CC)CC1
InChIInChI=1S/C17H29N3O3/c1-4-20-12-9-18-15(20)14-19-10-6-17(7-11-19,8-13-22-3)16(21)23-5-2/h9,12H,4-8,10-11,13-14H2,1-3H3
InChIKeyHPXPDJKKNKWXGI-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.08
Rot. Bonds8

About ethyl 1-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate

ethyl 1-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate (PubChem CID 42096266) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is ethyl 1-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate
PubChem CID42096266
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Nameethyl 1-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOC)CCN(Cc2nccn2CC)CC1
InChIInChI=1S/C17H29N3O3/c1-4-20-12-9-18-15(20)14-19-10-6-17(7-11-19,8-13-22-3)16(21)23-5-2/h9,12H,4-8,10-11,13-14H2,1-3H3
InChIKeyHPXPDJKKNKWXGI-UHFFFAOYSA-N
XLogP2.08
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate (CID 42096266) is ethyl 1-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate is CCOC(=O)C1(CCOC)CCN(Cc2nccn2CC)CC1.
What is the InChIKey of ethyl 1-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate?
The InChIKey is HPXPDJKKNKWXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-4-20-12-9-18-15(20)14-19-10-6-17(7-11-19,8-13-22-3)16(21)23-5-2/h9,12H,4-8,10-11,13-14H2,1-3H3.
What are the key properties of ethyl 1-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate?
ethyl 1-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate has a molecular weight of 323.44 g/mol, XLogP of 2.08, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethyl)piperidine-4-carboxylate is sourced from PubChem (CID 42096266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).