1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one

C14H24N4O2 — CID 129331737

IUPAC1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one
SMILESCCN1CCN(C(=O)CCCOC)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C14H24N4O2/c1-3-17-8-9-18(13(19)5-4-10-20-2)11-12(17)14-15-6-7-16-14/h6-7,12H,3-5,8-11H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyJXMXSKVYUCWKNC-GFCCVEGCSA-N
MW280.37 g/mol
LogP1.04
Rot. Bonds6

About 1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one

1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one (PubChem CID 129331737) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one.

Molecular Properties

Compound Name1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one
PubChem CID129331737
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one
SMILESCCN1CCN(C(=O)CCCOC)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C14H24N4O2/c1-3-17-8-9-18(13(19)5-4-10-20-2)11-12(17)14-15-6-7-16-14/h6-7,12H,3-5,8-11H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyJXMXSKVYUCWKNC-GFCCVEGCSA-N
XLogP1.04
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one
CID 129334597
5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile
CID 136543974
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 129000377
(2S)-1-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one
CID 129341216
2-(diethylamino)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 129330524
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 128997843
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129338090
2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 129329869
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 129340634
3-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 129336485
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 128992146
1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 129337757

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one?
The IUPAC name of 1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one (CID 129331737) is 1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one.
What is the SMILES notation for 1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one?
The canonical SMILES for 1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one is CCN1CCN(C(=O)CCCOC)C[C@@H]1c1ncc[nH]1.
What is the InChIKey of 1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one?
The InChIKey is JXMXSKVYUCWKNC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-17-8-9-18(13(19)5-4-10-20-2)11-12(17)14-15-6-7-16-14/h6-7,12H,3-5,8-11H2,1-2H3,(H,15,16)/t12-/m1/s1.
What are the key properties of 1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one?
1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one has a molecular weight of 280.37 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one is sourced from PubChem (CID 129331737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).