methyl (4E)-4-hydroxyimino-5-[4-[(2E)-2-hydroxyimino-5-methoxy-5-oxopentyl]piperazin-1-yl]pentanoate

C16H28N4O6 — CID 23635958

IUPACmethyl (4E)-4-hydroxyimino-5-[4-[(2E)-2-hydroxyimino-5-methoxy-5-oxopentyl]piperazin-1-yl]pentanoate
SMILESCOC(=O)CC/C(CN1CCN(C/C(CCC(=O)OC)=N/O)CC1)=N\O
InChIInChI=1S/C16H28N4O6/c1-25-15(21)5-3-13(17-23)11-19-7-9-20(10-8-19)12-14(18-24)4-6-16(22)26-2/h23-24H,3-12H2,1-2H3/b17-13+,18-14+
InChIKeyBYIIUUXBYZVCMW-HBKJEHTGSA-N
MW372.42 g/mol
LogP0.17
Rot. Bonds10

About methyl (4E)-4-hydroxyimino-5-[4-[(2E)-2-hydroxyimino-5-methoxy-5-oxopentyl]piperazin-1-yl]pentanoate

methyl (4E)-4-hydroxyimino-5-[4-[(2E)-2-hydroxyimino-5-methoxy-5-oxopentyl]piperazin-1-yl]pentanoate (PubChem CID 23635958) has the molecular formula C16H28N4O6 and a molecular weight of 372.42 g/mol. Its IUPAC name is methyl (4E)-4-hydroxyimino-5-[4-[(2E)-2-hydroxyimino-5-methoxy-5-oxopentyl]piperazin-1-yl]pentanoate.

Molecular Properties

Compound Namemethyl (4E)-4-hydroxyimino-5-[4-[(2E)-2-hydroxyimino-5-methoxy-5-oxopentyl]piperazin-1-yl]pentanoate
PubChem CID23635958
Molecular FormulaC16H28N4O6
Molecular Weight372.42 g/mol
Exact Mass372.20
IUPAC Namemethyl (4E)-4-hydroxyimino-5-[4-[(2E)-2-hydroxyimino-5-methoxy-5-oxopentyl]piperazin-1-yl]pentanoate
SMILESCOC(=O)CC/C(CN1CCN(C/C(CCC(=O)OC)=N/O)CC1)=N\O
InChIInChI=1S/C16H28N4O6/c1-25-15(21)5-3-13(17-23)11-19-7-9-20(10-8-19)12-14(18-24)4-6-16(22)26-2/h23-24H,3-12H2,1-2H3/b17-13+,18-14+
InChIKeyBYIIUUXBYZVCMW-HBKJEHTGSA-N
XLogP0.17
TPSA124.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl (4E)-4-hydroxyimino-5-[4-[(2E)-2-hydroxyimino-5-methoxy-5-oxopentyl]piperazin-1-yl]pentanoate with MolForge

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Related Compounds

methyl 2-[10-(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]acetate
CID 22889204
2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid
CID 170916597
dimethyl 4-methoxyiminoheptanedioate
CID 587685
ethane;2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 143494242
dimethyl (4E)-4-hydroxyimino-2-nitroheptanedioate
CID 10989073
1-O-methyl 4-O-[2-(4-methylpiperazin-1-yl)ethyl] butanedioate
CID 166761469
methyl 2-[4,7-bis(2-methoxy-2-oxoethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 143494239
methyl 2-(4-butanoylpiperazin-1-yl)acetate
CID 61238524
ethane;methyl 4-(4-methylpiperazin-1-yl)butanoate
CID 171562662
methyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 78982381
methyl 5-[4-(2-oxoheptyl)piperazin-1-yl]pentanoate
CID 71385593
methyl 3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 25219281

Frequently Asked Questions

What is the IUPAC name of methyl (4E)-4-hydroxyimino-5-[4-[(2E)-2-hydroxyimino-5-methoxy-5-oxopentyl]piperazin-1-yl]pentanoate?
The IUPAC name of methyl (4E)-4-hydroxyimino-5-[4-[(2E)-2-hydroxyimino-5-methoxy-5-oxopentyl]piperazin-1-yl]pentanoate (CID 23635958) is methyl (4E)-4-hydroxyimino-5-[4-[(2E)-2-hydroxyimino-5-methoxy-5-oxopentyl]piperazin-1-yl]pentanoate.
What is the SMILES notation for methyl (4E)-4-hydroxyimino-5-[4-[(2E)-2-hydroxyimino-5-methoxy-5-oxopentyl]piperazin-1-yl]pentanoate?
The canonical SMILES for methyl (4E)-4-hydroxyimino-5-[4-[(2E)-2-hydroxyimino-5-methoxy-5-oxopentyl]piperazin-1-yl]pentanoate is COC(=O)CC/C(CN1CCN(C/C(CCC(=O)OC)=N/O)CC1)=N\O.
What is the InChIKey of methyl (4E)-4-hydroxyimino-5-[4-[(2E)-2-hydroxyimino-5-methoxy-5-oxopentyl]piperazin-1-yl]pentanoate?
The InChIKey is BYIIUUXBYZVCMW-HBKJEHTGSA-N. The full InChI is InChI=1S/C16H28N4O6/c1-25-15(21)5-3-13(17-23)11-19-7-9-20(10-8-19)12-14(18-24)4-6-16(22)26-2/h23-24H,3-12H2,1-2H3/b17-13+,18-14+.
What are the key properties of methyl (4E)-4-hydroxyimino-5-[4-[(2E)-2-hydroxyimino-5-methoxy-5-oxopentyl]piperazin-1-yl]pentanoate?
methyl (4E)-4-hydroxyimino-5-[4-[(2E)-2-hydroxyimino-5-methoxy-5-oxopentyl]piperazin-1-yl]pentanoate has a molecular weight of 372.42 g/mol, XLogP of 0.17, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4E)-4-hydroxyimino-5-[4-[(2E)-2-hydroxyimino-5-methoxy-5-oxopentyl]piperazin-1-yl]pentanoate is sourced from PubChem (CID 23635958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).