(2S)-1-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one

C14H24N4O2 — CID 129341216

IUPAC(2S)-1-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one
SMILESCCN1CCN(C(=O)[C@@H](C)COC)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C14H24N4O2/c1-4-17-7-8-18(14(19)11(2)10-20-3)9-12(17)13-15-5-6-16-13/h5-6,11-12H,4,7-10H2,1-3H3,(H,15,16)/t11-,12-/m0/s1
InChIKeyYLNBMNSNAYQNGN-RYUDHWBXSA-N
MW280.37 g/mol
LogP0.90
Rot. Bonds5

About (2S)-1-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one

(2S)-1-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one (PubChem CID 129341216) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-1-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one
PubChem CID129341216
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(2S)-1-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one
SMILESCCN1CCN(C(=O)[C@@H](C)COC)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C14H24N4O2/c1-4-17-7-8-18(14(19)11(2)10-20-3)9-12(17)13-15-5-6-16-13/h5-6,11-12H,4,7-10H2,1-3H3,(H,15,16)/t11-,12-/m0/s1
InChIKeyYLNBMNSNAYQNGN-RYUDHWBXSA-N
XLogP0.90
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.90
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]-3-methoxypropan-1-one
CID 129334597
1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one
CID 129331737
[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]-(2-methoxyphenyl)methanone
CID 129340634
2-(diethylamino)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 129330524
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
5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile
CID 136543974
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 129329971
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129338090
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 129006467
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129330127

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one?
The IUPAC name of (2S)-1-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one (CID 129341216) is (2S)-1-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one.
What is the SMILES notation for (2S)-1-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one?
The canonical SMILES for (2S)-1-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one is CCN1CCN(C(=O)[C@@H](C)COC)C[C@H]1c1ncc[nH]1.
What is the InChIKey of (2S)-1-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one?
The InChIKey is YLNBMNSNAYQNGN-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-17-7-8-18(14(19)11(2)10-20-3)9-12(17)13-15-5-6-16-13/h5-6,11-12H,4,7-10H2,1-3H3,(H,15,16)/t11-,12-/m0/s1.
What are the key properties of (2S)-1-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one?
(2S)-1-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one has a molecular weight of 280.37 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 129341216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).