5-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide

C14H29N3O2 — CID 77063618

IUPAC5-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCOC1CCCN(CCCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C14H29N3O2/c1-4-19-12-7-5-9-17(11-12)10-6-8-14(2,3)13(15)16-18/h12,18H,4-11H2,1-3H3,(H2,15,16)
InChIKeyJLVSPNLUGFDTGP-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.04
Rot. Bonds7

About 5-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063618) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 5-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063618
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name5-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCOC1CCCN(CCCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C14H29N3O2/c1-4-19-12-7-5-9-17(11-12)10-6-8-14(2,3)13(15)16-18/h12,18H,4-11H2,1-3H3,(H2,15,16)
InChIKeyJLVSPNLUGFDTGP-UHFFFAOYSA-N
XLogP2.04
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.04
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'}

Analyze 5-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063618) is 5-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide is CCOC1CCCN(CCCC(C)(C)C(N)=NO)C1.
What is the InChIKey of 5-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is JLVSPNLUGFDTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-4-19-12-7-5-9-17(11-12)10-6-8-14(2,3)13(15)16-18/h12,18H,4-11H2,1-3H3,(H2,15,16).
What are the key properties of 5-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 271.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).