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

C16H29N3O2 — CID 102848164

IUPACN'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H29N3O2/c17-15(18-20)14-6-2-5-11-19(14)12-13-7-10-16(21-13)8-3-1-4-9-16/h13-14,20H,1-12H2,(H2,17,18)
InChIKeyUHBXJXBGOWIBJI-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.47
Rot. Bonds3

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

N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide (PubChem CID 102848164) 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-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide
PubChem CID102848164
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H29N3O2/c17-15(18-20)14-6-2-5-11-19(14)12-13-7-10-16(21-13)8-3-1-4-9-16/h13-14,20H,1-12H2,(H2,17,18)
InChIKeyUHBXJXBGOWIBJI-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
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

methyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate
CID 102900010
2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanol
CID 102900024
N'-hydroxy-2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanimidamide
CID 102898294
3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid
CID 102899176
[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine
CID 102898455
2-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-amine
CID 102899492
[3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine
CID 102898456
1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036067
1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 79171537
2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 102899249
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide
CID 102898330
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid
CID 102899119

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide (CID 102848164) is N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide is NC(=NO)C1CCCCN1CC1CCC2(CCCCC2)O1.
What is the InChIKey of N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide?
The InChIKey is UHBXJXBGOWIBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c17-15(18-20)14-6-2-5-11-19(14)12-13-7-10-16(21-13)8-3-1-4-9-16/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-2-carboximidamide?
N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide has a molecular weight of 295.43 g/mol, XLogP of 2.47, 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-2-carboximidamide is sourced from PubChem (CID 102848164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).