1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-5-methoxy-2-methylpentan-1-one

C17H30N4O2 — CID 129000682

IUPAC1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-5-methoxy-2-methylpentan-1-one
SMILESCCN1CCN(C(=O)C(C)CCCOC)CC1c1nccn1C
InChIInChI=1S/C17H30N4O2/c1-5-20-10-11-21(17(22)14(2)7-6-12-23-4)13-15(20)16-18-8-9-19(16)3/h8-9,14-15H,5-7,10-13H2,1-4H3
InChIKeyQQBKRFNCNCLUEQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.69
Rot. Bonds7

About 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-5-methoxy-2-methylpentan-1-one

1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-5-methoxy-2-methylpentan-1-one (PubChem CID 129000682) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-5-methoxy-2-methylpentan-1-one.

Molecular Properties

Compound Name1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-5-methoxy-2-methylpentan-1-one
PubChem CID129000682
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-5-methoxy-2-methylpentan-1-one
SMILESCCN1CCN(C(=O)C(C)CCCOC)CC1c1nccn1C
InChIInChI=1S/C17H30N4O2/c1-5-20-10-11-21(17(22)14(2)7-6-12-23-4)13-15(20)16-18-8-9-19(16)3/h8-9,14-15H,5-7,10-13H2,1-4H3
InChIKeyQQBKRFNCNCLUEQ-UHFFFAOYSA-N
XLogP1.69
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 128991431
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 128971897
(2S)-2-methyl-1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 129478886
2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 129332688
1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 129335910
[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 129340807
(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 129335168
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone
CID 129329973
(2S)-1-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one
CID 129341216
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129007007
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129338040
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 128972777

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-5-methoxy-2-methylpentan-1-one?
The IUPAC name of 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-5-methoxy-2-methylpentan-1-one (CID 129000682) is 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-5-methoxy-2-methylpentan-1-one.
What is the SMILES notation for 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-5-methoxy-2-methylpentan-1-one?
The canonical SMILES for 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-5-methoxy-2-methylpentan-1-one is CCN1CCN(C(=O)C(C)CCCOC)CC1c1nccn1C.
What is the InChIKey of 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-5-methoxy-2-methylpentan-1-one?
The InChIKey is QQBKRFNCNCLUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-5-20-10-11-21(17(22)14(2)7-6-12-23-4)13-15(20)16-18-8-9-19(16)3/h8-9,14-15H,5-7,10-13H2,1-4H3.
What are the key properties of 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-5-methoxy-2-methylpentan-1-one?
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-5-methoxy-2-methylpentan-1-one has a molecular weight of 322.45 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-5-methoxy-2-methylpentan-1-one is sourced from PubChem (CID 129000682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).