ethyl 2-(5-piperidin-2-ylimidazol-1-yl)acetate

C12H19N3O2 — CID 114704303

IUPACethyl 2-(5-piperidin-2-ylimidazol-1-yl)acetate
SMILESCCOC(=O)Cn1cncc1C1CCCCN1
InChIInChI=1S/C12H19N3O2/c1-2-17-12(16)8-15-9-13-7-11(15)10-5-3-4-6-14-10/h7,9-10,14H,2-6,8H2,1H3
InChIKeyXTBYOZMQWUXKSK-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.26
Rot. Bonds4

About ethyl 2-(5-piperidin-2-ylimidazol-1-yl)acetate

ethyl 2-(5-piperidin-2-ylimidazol-1-yl)acetate (PubChem CID 114704303) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-(5-piperidin-2-ylimidazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-piperidin-2-ylimidazol-1-yl)acetate
PubChem CID114704303
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethyl 2-(5-piperidin-2-ylimidazol-1-yl)acetate
SMILESCCOC(=O)Cn1cncc1C1CCCCN1
InChIInChI=1S/C12H19N3O2/c1-2-17-12(16)8-15-9-13-7-11(15)10-5-3-4-6-14-10/h7,9-10,14H,2-6,8H2,1H3
InChIKeyXTBYOZMQWUXKSK-UHFFFAOYSA-N
XLogP1.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate
CID 114706340
2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide
CID 104942020
1-piperidin-1-yl-2-(5-piperidin-2-ylimidazol-1-yl)ethanone
CID 114707098
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
2-[3-(2-methylbutyl)imidazol-4-yl]piperidine
CID 114705654
1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941455
N,2,2-trimethyl-3-(5-piperidin-2-ylimidazol-1-yl)propanamide
CID 106278204
2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine
CID 114703963
2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114706613
1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole
CID 114707453
N-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide
CID 104942233
1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943987

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-piperidin-2-ylimidazol-1-yl)acetate?
The IUPAC name of ethyl 2-(5-piperidin-2-ylimidazol-1-yl)acetate (CID 114704303) is ethyl 2-(5-piperidin-2-ylimidazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-piperidin-2-ylimidazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-piperidin-2-ylimidazol-1-yl)acetate is CCOC(=O)Cn1cncc1C1CCCCN1.
What is the InChIKey of ethyl 2-(5-piperidin-2-ylimidazol-1-yl)acetate?
The InChIKey is XTBYOZMQWUXKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-17-12(16)8-15-9-13-7-11(15)10-5-3-4-6-14-10/h7,9-10,14H,2-6,8H2,1H3.
What are the key properties of ethyl 2-(5-piperidin-2-ylimidazol-1-yl)acetate?
ethyl 2-(5-piperidin-2-ylimidazol-1-yl)acetate has a molecular weight of 237.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-piperidin-2-ylimidazol-1-yl)acetate is sourced from PubChem (CID 114704303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).