N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide

C16H29N3O2 — CID 102898299

IUPACN'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(CC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C16H29N3O2/c17-15(18-20)13-5-4-10-19(11-13)12-14-6-9-16(21-14)7-2-1-3-8-16/h13-14,20H,1-12H2,(H2,17,18)
InChIKeyKDOAGZRKZVLANZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.33
Rot. Bonds3

About N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide

N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide (PubChem CID 102898299) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide
PubChem CID102898299
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(CC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C16H29N3O2/c17-15(18-20)13-5-4-10-19(11-13)12-14-6-9-16(21-14)7-2-1-3-8-16/h13-14,20H,1-12H2,(H2,17,18)
InChIKeyKDOAGZRKZVLANZ-UHFFFAOYSA-N
XLogP2.33
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.33
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-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide (CID 102898299) is N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide is NC(=NO)C1CCCN(CC2CCC3(CCCCC3)O2)C1.
What is the InChIKey of N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide?
The InChIKey is KDOAGZRKZVLANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c17-15(18-20)13-5-4-10-19(11-13)12-14-6-9-16(21-14)7-2-1-3-8-16/h13-14,20H,1-12H2,(H2,17,18).
What are the key properties of N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide?
N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide has a molecular weight of 295.43 g/mol, XLogP of 2.33, 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[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide is sourced from PubChem (CID 102898299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).