N'-hydroxy-2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanimidamide

C15H28N4O2 — CID 102898294

IUPACN'-hydroxy-2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanimidamide
SMILESNC(CN1CCN(CC2CCC3(CCCC3)O2)CC1)=NO
InChIInChI=1S/C15H28N4O2/c16-14(17-20)12-19-9-7-18(8-10-19)11-13-3-6-15(21-13)4-1-2-5-15/h13,20H,1-12H2,(H2,16,17)
InChIKeyBJMHBWBZYQSBKR-UHFFFAOYSA-N
MW296.42 g/mol
LogP0.84
Rot. Bonds4

About N'-hydroxy-2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanimidamide

N'-hydroxy-2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanimidamide (PubChem CID 102898294) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanimidamide
PubChem CID102898294
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC NameN'-hydroxy-2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanimidamide
SMILESNC(CN1CCN(CC2CCC3(CCCC3)O2)CC1)=NO
InChIInChI=1S/C15H28N4O2/c16-14(17-20)12-19-9-7-18(8-10-19)11-13-3-6-15(21-13)4-1-2-5-15/h13,20H,1-12H2,(H2,16,17)
InChIKeyBJMHBWBZYQSBKR-UHFFFAOYSA-N
XLogP0.84
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 104889558
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol
CID 102900018
N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide
CID 102848164
4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbothioamide
CID 102898079
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid
CID 102899119
1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol
CID 102848137
2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 102899178
4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carboximidamide
CID 102898334
3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
CID 102900770
3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 102898276
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide
CID 102898330
3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 107324451

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanimidamide (CID 102898294) is N'-hydroxy-2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanimidamide is NC(CN1CCN(CC2CCC3(CCCC3)O2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanimidamide?
The InChIKey is BJMHBWBZYQSBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c16-14(17-20)12-19-9-7-18(8-10-19)11-13-3-6-15(21-13)4-1-2-5-15/h13,20H,1-12H2,(H2,16,17).
What are the key properties of N'-hydroxy-2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanimidamide has a molecular weight of 296.42 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 102898294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).