N'-hydroxy-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-3-carboximidamide

C15H27N3O2 — CID 102898298

IUPACN'-hydroxy-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(CC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C15H27N3O2/c16-14(17-19)12-4-3-9-18(10-12)11-13-5-8-15(20-13)6-1-2-7-15/h12-13,19H,1-11H2,(H2,16,17)
InChIKeyNSYZLEZOPDTFGE-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.94
Rot. Bonds3

About N'-hydroxy-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-3-carboximidamide

N'-hydroxy-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-3-carboximidamide (PubChem CID 102898298) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N'-hydroxy-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-3-carboximidamide
PubChem CID102898298
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN'-hydroxy-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(CC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C15H27N3O2/c16-14(17-19)12-4-3-9-18(10-12)11-13-5-8-15(20-13)6-1-2-7-15/h12-13,19H,1-11H2,(H2,16,17)
InChIKeyNSYZLEZOPDTFGE-UHFFFAOYSA-N
XLogP1.94
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.94
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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Related Compounds

N'-hydroxy-1-(oxolan-2-ylmethyl)piperidine-4-carboximidamide
CID 77038264
N'-hydroxy-1-(oxolan-2-ylmethyl)piperidine-3-carboximidamide
CID 77041836
N'-hydroxy-1-[3-(oxolan-2-yl)propyl]piperidine-3-carboximidamide
CID 77057980
N'-hydroxy-4-(6-oxaspiro[4.5]decan-9-yl)morpholine-2-carboximidamide
CID 79905474
N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide
CID 102848164
N'-hydroxy-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide
CID 102898271
N'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanimidamide
CID 102898272
3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 102898273
3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 102898274
3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 102898275
3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 102898276
N'-hydroxy-2-methyl-3-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanimidamide
CID 102898277

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-3-carboximidamide (CID 102898298) is N'-hydroxy-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-3-carboximidamide is NC(=NO)C1CCCN(CC2CCC3(CCCC3)O2)C1.
What is the InChIKey of N'-hydroxy-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-3-carboximidamide?
The InChIKey is NSYZLEZOPDTFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c16-14(17-19)12-4-3-9-18(10-12)11-13-5-8-15(20-13)6-1-2-7-15/h12-13,19H,1-11H2,(H2,16,17).
What are the key properties of N'-hydroxy-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-3-carboximidamide?
N'-hydroxy-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-3-carboximidamide has a molecular weight of 281.40 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-3-carboximidamide is sourced from PubChem (CID 102898298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).