ethyl 3,5-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)imidazole-4-carboxylate

C15H26N4O2 — CID 154766832

IUPACethyl 3,5-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(N2CCN(C(C)C)CC2)n1C
InChIInChI=1S/C15H26N4O2/c1-6-21-14(20)13-12(4)16-15(17(13)5)19-9-7-18(8-10-19)11(2)3/h11H,6-10H2,1-5H3
InChIKeyUCXMXRVLNHFPQE-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.44
Rot. Bonds4

About ethyl 3,5-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)imidazole-4-carboxylate

ethyl 3,5-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)imidazole-4-carboxylate (PubChem CID 154766832) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is ethyl 3,5-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)imidazole-4-carboxylate
PubChem CID154766832
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nameethyl 3,5-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(N2CCN(C(C)C)CC2)n1C
InChIInChI=1S/C15H26N4O2/c1-6-21-14(20)13-12(4)16-15(17(13)5)19-9-7-18(8-10-19)11(2)3/h11H,6-10H2,1-5H3
InChIKeyUCXMXRVLNHFPQE-UHFFFAOYSA-N
XLogP1.44
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)imidazole-4-carboxylate?
The IUPAC name of ethyl 3,5-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)imidazole-4-carboxylate (CID 154766832) is ethyl 3,5-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 3,5-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 3,5-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)imidazole-4-carboxylate is CCOC(=O)c1c(C)nc(N2CCN(C(C)C)CC2)n1C.
What is the InChIKey of ethyl 3,5-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)imidazole-4-carboxylate?
The InChIKey is UCXMXRVLNHFPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-6-21-14(20)13-12(4)16-15(17(13)5)19-9-7-18(8-10-19)11(2)3/h11H,6-10H2,1-5H3.
What are the key properties of ethyl 3,5-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)imidazole-4-carboxylate?
ethyl 3,5-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)imidazole-4-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)imidazole-4-carboxylate is sourced from PubChem (CID 154766832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).