(Z)-1-(1,3-dioxoisoindol-2-yl)ethoxyimino-[4-(hydroxymethyl)piperidin-1-yl]-oxidoazanium

C16H20N4O5 — CID 118237813

IUPAC(Z)-1-(1,3-dioxoisoindol-2-yl)ethoxyimino-[4-(hydroxymethyl)piperidin-1-yl]-oxidoazanium
SMILESCC(O/N=[N+](\[O-])N1CCC(CO)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H20N4O5/c1-11(19-15(22)13-4-2-3-5-14(13)16(19)23)25-17-20(24)18-8-6-12(10-21)7-9-18/h2-5,11-12,21H,6-10H2,1H3/b20-17-
InChIKeyOFMHLFQCFPCTMH-JZJYNLBNSA-N
MW348.36 g/mol
LogP1.14
Rot. Bonds5

About (Z)-1-(1,3-dioxoisoindol-2-yl)ethoxyimino-[4-(hydroxymethyl)piperidin-1-yl]-oxidoazanium

(Z)-1-(1,3-dioxoisoindol-2-yl)ethoxyimino-[4-(hydroxymethyl)piperidin-1-yl]-oxidoazanium (PubChem CID 118237813) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is (Z)-1-(1,3-dioxoisoindol-2-yl)ethoxyimino-[4-(hydroxymethyl)piperidin-1-yl]-oxidoazanium.

Molecular Properties

Compound Name(Z)-1-(1,3-dioxoisoindol-2-yl)ethoxyimino-[4-(hydroxymethyl)piperidin-1-yl]-oxidoazanium
PubChem CID118237813
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC Name(Z)-1-(1,3-dioxoisoindol-2-yl)ethoxyimino-[4-(hydroxymethyl)piperidin-1-yl]-oxidoazanium
SMILESCC(O/N=[N+](\[O-])N1CCC(CO)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H20N4O5/c1-11(19-15(22)13-4-2-3-5-14(13)16(19)23)25-17-20(24)18-8-6-12(10-21)7-9-18/h2-5,11-12,21H,6-10H2,1H3/b20-17-
InChIKeyOFMHLFQCFPCTMH-JZJYNLBNSA-N
XLogP1.14
TPSA108.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1,3-dioxoisoindol-2-yl)ethoxyimino-[4-(hydroxymethyl)piperidin-1-yl]-oxidoazanium?
The IUPAC name of (Z)-1-(1,3-dioxoisoindol-2-yl)ethoxyimino-[4-(hydroxymethyl)piperidin-1-yl]-oxidoazanium (CID 118237813) is (Z)-1-(1,3-dioxoisoindol-2-yl)ethoxyimino-[4-(hydroxymethyl)piperidin-1-yl]-oxidoazanium.
What is the SMILES notation for (Z)-1-(1,3-dioxoisoindol-2-yl)ethoxyimino-[4-(hydroxymethyl)piperidin-1-yl]-oxidoazanium?
The canonical SMILES for (Z)-1-(1,3-dioxoisoindol-2-yl)ethoxyimino-[4-(hydroxymethyl)piperidin-1-yl]-oxidoazanium is CC(O/N=[N+](\[O-])N1CCC(CO)CC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (Z)-1-(1,3-dioxoisoindol-2-yl)ethoxyimino-[4-(hydroxymethyl)piperidin-1-yl]-oxidoazanium?
The InChIKey is OFMHLFQCFPCTMH-JZJYNLBNSA-N. The full InChI is InChI=1S/C16H20N4O5/c1-11(19-15(22)13-4-2-3-5-14(13)16(19)23)25-17-20(24)18-8-6-12(10-21)7-9-18/h2-5,11-12,21H,6-10H2,1H3/b20-17-.
What are the key properties of (Z)-1-(1,3-dioxoisoindol-2-yl)ethoxyimino-[4-(hydroxymethyl)piperidin-1-yl]-oxidoazanium?
(Z)-1-(1,3-dioxoisoindol-2-yl)ethoxyimino-[4-(hydroxymethyl)piperidin-1-yl]-oxidoazanium has a molecular weight of 348.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1,3-dioxoisoindol-2-yl)ethoxyimino-[4-(hydroxymethyl)piperidin-1-yl]-oxidoazanium is sourced from PubChem (CID 118237813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).