N'-hydroxy-2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide

C15H31N3O2 — CID 77063578

IUPACN'-hydroxy-2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide
SMILESCCCOC1CCCN(CCCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C15H31N3O2/c1-4-11-20-13-7-5-9-18(12-13)10-6-8-15(2,3)14(16)17-19/h13,19H,4-12H2,1-3H3,(H2,16,17)
InChIKeyXPGDDJNKRQUZIP-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.43
Rot. Bonds8

About N'-hydroxy-2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide

N'-hydroxy-2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide (PubChem CID 77063578) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide
PubChem CID77063578
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC NameN'-hydroxy-2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide
SMILESCCCOC1CCCN(CCCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C15H31N3O2/c1-4-11-20-13-7-5-9-18(12-13)10-6-8-15(2,3)14(16)17-19/h13,19H,4-12H2,1-3H3,(H2,16,17)
InChIKeyXPGDDJNKRQUZIP-UHFFFAOYSA-N
XLogP2.43
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.43
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 N'-hydroxy-2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide (CID 77063578) is N'-hydroxy-2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide is CCCOC1CCCN(CCCC(C)(C)C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide?
The InChIKey is XPGDDJNKRQUZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-11-20-13-7-5-9-18(12-13)10-6-8-15(2,3)14(16)17-19/h13,19H,4-12H2,1-3H3,(H2,16,17).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide has a molecular weight of 285.43 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-(3-propoxypiperidin-1-yl)pentanimidamide is sourced from PubChem (CID 77063578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).