3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide

C11H23N3O3 — CID 106589687

IUPAC3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide
SMILESCOCC1CCCN(C(COC)C(=O)NN)C1
InChIInChI=1S/C11H23N3O3/c1-16-7-9-4-3-5-14(6-9)10(8-17-2)11(15)13-12/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyXLGSIVQTFFZHRA-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.65
Rot. Bonds6

About 3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide

3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide (PubChem CID 106589687) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide.

Molecular Properties

Compound Name3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide
PubChem CID106589687
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide
SMILESCOCC1CCCN(C(COC)C(=O)NN)C1
InChIInChI=1S/C11H23N3O3/c1-16-7-9-4-3-5-14(6-9)10(8-17-2)11(15)13-12/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyXLGSIVQTFFZHRA-UHFFFAOYSA-N
XLogP-0.65
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-hydroxyethyl)piperidin-1-yl]-3-methoxypropanehydrazide
CID 107229100
3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide
CID 103229582
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methoxypropanehydrazide
CID 103229530
3-methoxy-2-(4-methylpiperidin-1-yl)propanehydrazide
CID 103229441
2-(3-ethylpiperidin-1-yl)butanehydrazide
CID 63572940
3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide
CID 103229742
(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid
CID 129414278
2-[4-(methoxymethyl)piperidin-1-yl]butanehydrazide
CID 63980111
2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide
CID 103229435
(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129413747
3-methoxy-2-piperazin-1-ylpropanehydrazide
CID 103229611
3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide
CID 103229712

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide?
The IUPAC name of 3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide (CID 106589687) is 3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide.
What is the SMILES notation for 3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide?
The canonical SMILES for 3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide is COCC1CCCN(C(COC)C(=O)NN)C1.
What is the InChIKey of 3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide?
The InChIKey is XLGSIVQTFFZHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-16-7-9-4-3-5-14(6-9)10(8-17-2)11(15)13-12/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide?
3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide has a molecular weight of 245.32 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide is sourced from PubChem (CID 106589687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).