bis[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl] oxalate

C16H26N4O6 — CID 90092449

IUPACbis[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl] oxalate
SMILESC[C@H](OC(=O)C(=O)O[C@@H](C)C(=O)N1CCNCC1)C(=O)N1CCNCC1
InChIInChI=1S/C16H26N4O6/c1-11(13(21)19-7-3-17-4-8-19)25-15(23)16(24)26-12(2)14(22)20-9-5-18-6-10-20/h11-12,17-18H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyVOTMZAYCRPVOGW-RYUDHWBXSA-N
MW370.41 g/mol
LogP-2.29
Rot. Bonds4

About bis[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl] oxalate

bis[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl] oxalate (PubChem CID 90092449) has the molecular formula C16H26N4O6 and a molecular weight of 370.41 g/mol. Its IUPAC name is bis[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl] oxalate.

Molecular Properties

Compound Namebis[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl] oxalate
PubChem CID90092449
Molecular FormulaC16H26N4O6
Molecular Weight370.41 g/mol
Exact Mass370.19
IUPAC Namebis[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl] oxalate
SMILESC[C@H](OC(=O)C(=O)O[C@@H](C)C(=O)N1CCNCC1)C(=O)N1CCNCC1
InChIInChI=1S/C16H26N4O6/c1-11(13(21)19-7-3-17-4-8-19)25-15(23)16(24)26-12(2)14(22)20-9-5-18-6-10-20/h11-12,17-18H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyVOTMZAYCRPVOGW-RYUDHWBXSA-N
XLogP-2.29
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 5-2.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl] oxalate?
The IUPAC name of bis[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl] oxalate (CID 90092449) is bis[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl] oxalate.
What is the SMILES notation for bis[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl] oxalate?
The canonical SMILES for bis[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl] oxalate is C[C@H](OC(=O)C(=O)O[C@@H](C)C(=O)N1CCNCC1)C(=O)N1CCNCC1.
What is the InChIKey of bis[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl] oxalate?
The InChIKey is VOTMZAYCRPVOGW-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H26N4O6/c1-11(13(21)19-7-3-17-4-8-19)25-15(23)16(24)26-12(2)14(22)20-9-5-18-6-10-20/h11-12,17-18H,3-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of bis[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl] oxalate?
bis[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl] oxalate has a molecular weight of 370.41 g/mol, XLogP of -2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl] oxalate is sourced from PubChem (CID 90092449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).