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

C14H24N4O2 — CID 129341217

IUPAC(2R)-1-[(3R)-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-/m1/s1
InChIKeyYLNBMNSNAYQNGN-VXGBXAGGSA-N
MW280.37 g/mol
LogP0.90
Rot. Bonds5

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

(2R)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one (PubChem CID 129341217) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2R)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one
PubChem CID129341217
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(2R)-1-[(3R)-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-/m1/s1
InChIKeyYLNBMNSNAYQNGN-VXGBXAGGSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one?
The IUPAC name of (2R)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one (CID 129341217) is (2R)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one.
What is the SMILES notation for (2R)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one?
The canonical SMILES for (2R)-1-[(3R)-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 (2R)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one?
The InChIKey is YLNBMNSNAYQNGN-VXGBXAGGSA-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-/m1/s1.
What are the key properties of (2R)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one?
(2R)-1-[(3R)-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 (2R)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 129341217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).