4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one

C16H28N4O — CID 50976932

IUPAC4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
SMILESCCc1nc(CN2CCN(CC(C)C)C(=O)C2C)c(C)[nH]1
InChIInChI=1S/C16H28N4O/c1-6-15-17-12(4)14(18-15)10-19-7-8-20(9-11(2)3)16(21)13(19)5/h11,13H,6-10H2,1-5H3,(H,17,18)
InChIKeyORIHALUYMKESOU-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.97
Rot. Bonds5

About 4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one

4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one (PubChem CID 50976932) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
PubChem CID50976932
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
SMILESCCc1nc(CN2CCN(CC(C)C)C(=O)C2C)c(C)[nH]1
InChIInChI=1S/C16H28N4O/c1-6-15-17-12(4)14(18-15)10-19-7-8-20(9-11(2)3)16(21)13(19)5/h11,13H,6-10H2,1-5H3,(H,17,18)
InChIKeyORIHALUYMKESOU-UHFFFAOYSA-N
XLogP1.97
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one (CID 50976932) is 4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one is CCc1nc(CN2CCN(CC(C)C)C(=O)C2C)c(C)[nH]1.
What is the InChIKey of 4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The InChIKey is ORIHALUYMKESOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-6-15-17-12(4)14(18-15)10-19-7-8-20(9-11(2)3)16(21)13(19)5/h11,13H,6-10H2,1-5H3,(H,17,18).
What are the key properties of 4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one has a molecular weight of 292.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 50976932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).