[(2R,5R)-5-ethyloxolan-2-yl]-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone

C15H24N4O2 — CID 129340069

IUPAC[(2R,5R)-5-ethyloxolan-2-yl]-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
SMILESCC[C@@H]1CC[C@H](C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)O1
InChIInChI=1S/C15H24N4O2/c1-3-11-4-5-13(21-11)15(20)19-9-8-18(2)12(10-19)14-16-6-7-17-14/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,16,17)/t11-,12+,13-/m1/s1
InChIKeyWUVAQHWJPBUQGV-FRRDWIJNSA-N
MW292.38 g/mol
LogP1.18
Rot. Bonds3

About [(2R,5R)-5-ethyloxolan-2-yl]-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone

[(2R,5R)-5-ethyloxolan-2-yl]-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone (PubChem CID 129340069) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [(2R,5R)-5-ethyloxolan-2-yl]-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2R,5R)-5-ethyloxolan-2-yl]-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
PubChem CID129340069
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[(2R,5R)-5-ethyloxolan-2-yl]-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
SMILESCC[C@@H]1CC[C@H](C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)O1
InChIInChI=1S/C15H24N4O2/c1-3-11-4-5-13(21-11)15(20)19-9-8-18(2)12(10-19)14-16-6-7-17-14/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,16,17)/t11-,12+,13-/m1/s1
InChIKeyWUVAQHWJPBUQGV-FRRDWIJNSA-N
XLogP1.18
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-ethyloxolan-2-yl]-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone?
The IUPAC name of [(2R,5R)-5-ethyloxolan-2-yl]-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone (CID 129340069) is [(2R,5R)-5-ethyloxolan-2-yl]-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [(2R,5R)-5-ethyloxolan-2-yl]-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone?
The canonical SMILES for [(2R,5R)-5-ethyloxolan-2-yl]-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone is CC[C@@H]1CC[C@H](C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)O1.
What is the InChIKey of [(2R,5R)-5-ethyloxolan-2-yl]-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone?
The InChIKey is WUVAQHWJPBUQGV-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-11-4-5-13(21-11)15(20)19-9-8-18(2)12(10-19)14-16-6-7-17-14/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,16,17)/t11-,12+,13-/m1/s1.
What are the key properties of [(2R,5R)-5-ethyloxolan-2-yl]-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone?
[(2R,5R)-5-ethyloxolan-2-yl]-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone has a molecular weight of 292.38 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-ethyloxolan-2-yl]-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 129340069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).