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

C13H22N4O2 — CID 129334597

IUPAC1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one
SMILESCCN1CCN(C(=O)CCOC)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C13H22N4O2/c1-3-16-7-8-17(12(18)4-9-19-2)10-11(16)13-14-5-6-15-13/h5-6,11H,3-4,7-10H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyNXIBEISBVRTXOY-LLVKDONJSA-N
MW266.34 g/mol
LogP0.65
Rot. Bonds5

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

1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one (PubChem CID 129334597) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one
PubChem CID129334597
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one
SMILESCCN1CCN(C(=O)CCOC)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C13H22N4O2/c1-3-16-7-8-17(12(18)4-9-19-2)10-11(16)13-14-5-6-15-13/h5-6,11H,3-4,7-10H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyNXIBEISBVRTXOY-LLVKDONJSA-N
XLogP0.65
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one
CID 129331737
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
5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile
CID 136543974
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
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 129329971

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one (CID 129334597) is 1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one is CCN1CCN(C(=O)CCOC)C[C@@H]1c1ncc[nH]1.
What is the InChIKey of 1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one?
The InChIKey is NXIBEISBVRTXOY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-16-7-8-17(12(18)4-9-19-2)10-11(16)13-14-5-6-15-13/h5-6,11H,3-4,7-10H2,1-2H3,(H,14,15)/t11-/m1/s1.
What are the key properties of 1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one?
1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one has a molecular weight of 266.34 g/mol, XLogP of 0.65, 5 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]-3-methoxypropan-1-one is sourced from PubChem (CID 129334597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).