ethyl 1-(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)piperidine-4-carboxylate

C17H26N4O3 — CID 71838451

IUPACethyl 1-(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cn3c(n2)CN(CC)CC3)CC1
InChIInChI=1S/C17H26N4O3/c1-3-19-9-10-21-11-14(18-15(21)12-19)16(22)20-7-5-13(6-8-20)17(23)24-4-2/h11,13H,3-10,12H2,1-2H3
InChIKeyZAQKILSQYRUSPJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.13
Rot. Bonds4

About ethyl 1-(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)piperidine-4-carboxylate (PubChem CID 71838451) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethyl 1-(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)piperidine-4-carboxylate
PubChem CID71838451
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nameethyl 1-(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cn3c(n2)CN(CC)CC3)CC1
InChIInChI=1S/C17H26N4O3/c1-3-19-9-10-21-11-14(18-15(21)12-19)16(22)20-7-5-13(6-8-20)17(23)24-4-2/h11,13H,3-10,12H2,1-2H3
InChIKeyZAQKILSQYRUSPJ-UHFFFAOYSA-N
XLogP1.13
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)piperidine-4-carboxylate (CID 71838451) is ethyl 1-(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cn3c(n2)CN(CC)CC3)CC1.
What is the InChIKey of ethyl 1-(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is ZAQKILSQYRUSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-3-19-9-10-21-11-14(18-15(21)12-19)16(22)20-7-5-13(6-8-20)17(23)24-4-2/h11,13H,3-10,12H2,1-2H3.
What are the key properties of ethyl 1-(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 71838451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).