ethyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine-1-carboxylate

C19H26N4O3 — CID 51117330

IUPACethyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2ccc(OCc3nccn3C)cc2)CC1
InChIInChI=1S/C19H26N4O3/c1-3-25-19(24)23-12-10-22(11-13-23)14-16-4-6-17(7-5-16)26-15-18-20-8-9-21(18)2/h4-9H,3,10-15H2,1-2H3
InChIKeyXUYXTTVVXGQZEW-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.27
Rot. Bonds6

About ethyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine-1-carboxylate

ethyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine-1-carboxylate (PubChem CID 51117330) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is ethyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine-1-carboxylate
PubChem CID51117330
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Nameethyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2ccc(OCc3nccn3C)cc2)CC1
InChIInChI=1S/C19H26N4O3/c1-3-25-19(24)23-12-10-22(11-13-23)14-16-4-6-17(7-5-16)26-15-18-20-8-9-21(18)2/h4-9H,3,10-15H2,1-2H3
InChIKeyXUYXTTVVXGQZEW-UHFFFAOYSA-N
XLogP2.27
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine-1-carboxylate (CID 51117330) is ethyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2ccc(OCc3nccn3C)cc2)CC1.
What is the InChIKey of ethyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine-1-carboxylate?
The InChIKey is XUYXTTVVXGQZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-3-25-19(24)23-12-10-22(11-13-23)14-16-4-6-17(7-5-16)26-15-18-20-8-9-21(18)2/h4-9H,3,10-15H2,1-2H3.
What are the key properties of ethyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine-1-carboxylate?
ethyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine-1-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 51117330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).