3-(3-ethoxypiperidin-1-yl)-N'-hydroxypentanimidamide

C12H25N3O2 — CID 54985013

IUPAC3-(3-ethoxypiperidin-1-yl)-N'-hydroxypentanimidamide
SMILESCCOC1CCCN(C(CC)C/C(N)=N/O)C1
InChIInChI=1S/C12H25N3O2/c1-3-10(8-12(13)14-16)15-7-5-6-11(9-15)17-4-2/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyVXVMNULYACLAES-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.40
Rot. Bonds6

About 3-(3-ethoxypiperidin-1-yl)-N'-hydroxypentanimidamide

3-(3-ethoxypiperidin-1-yl)-N'-hydroxypentanimidamide (PubChem CID 54985013) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(3-ethoxypiperidin-1-yl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(3-ethoxypiperidin-1-yl)-N'-hydroxypentanimidamide
PubChem CID54985013
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-(3-ethoxypiperidin-1-yl)-N'-hydroxypentanimidamide
SMILESCCOC1CCCN(C(CC)C/C(N)=N/O)C1
InChIInChI=1S/C12H25N3O2/c1-3-10(8-12(13)14-16)15-7-5-6-11(9-15)17-4-2/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyVXVMNULYACLAES-UHFFFAOYSA-N
XLogP1.40
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypiperidin-1-yl)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(3-ethoxypiperidin-1-yl)-N'-hydroxypentanimidamide (CID 54985013) is 3-(3-ethoxypiperidin-1-yl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(3-ethoxypiperidin-1-yl)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(3-ethoxypiperidin-1-yl)-N'-hydroxypentanimidamide is CCOC1CCCN(C(CC)C/C(N)=N/O)C1.
What is the InChIKey of 3-(3-ethoxypiperidin-1-yl)-N'-hydroxypentanimidamide?
The InChIKey is VXVMNULYACLAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-10(8-12(13)14-16)15-7-5-6-11(9-15)17-4-2/h10-11,16H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of 3-(3-ethoxypiperidin-1-yl)-N'-hydroxypentanimidamide?
3-(3-ethoxypiperidin-1-yl)-N'-hydroxypentanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypiperidin-1-yl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 54985013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).