N'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide

C13H23N3O4 — CID 104876801

IUPACN'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide
SMILESCC1(O)CCCN(C(=O)C2(C(N)=NO)CCOCC2)C1
InChIInChI=1S/C13H23N3O4/c1-12(18)3-2-6-16(9-12)11(17)13(10(14)15-19)4-7-20-8-5-13/h18-19H,2-9H2,1H3,(H2,14,15)
InChIKeyTXCDXTMVBSXQBQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.10
Rot. Bonds2

About N'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide

N'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide (PubChem CID 104876801) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is N'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide
PubChem CID104876801
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC NameN'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide
SMILESCC1(O)CCCN(C(=O)C2(C(N)=NO)CCOCC2)C1
InChIInChI=1S/C13H23N3O4/c1-12(18)3-2-6-16(9-12)11(17)13(10(14)15-19)4-7-20-8-5-13/h18-19H,2-9H2,1H3,(H2,14,15)
InChIKeyTXCDXTMVBSXQBQ-UHFFFAOYSA-N
XLogP-0.10
TPSA108.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
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

1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide
CID 77016550
N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide
CID 80590834
4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide
CID 76920417
1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80593908
1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide
CID 80594068
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide
CID 76921023
N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide
CID 76919469
1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide
CID 80594059
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide
CID 76986956
4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide
CID 81464935
1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321114

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide?
The IUPAC name of N'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide (CID 104876801) is N'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide is CC1(O)CCCN(C(=O)C2(C(N)=NO)CCOCC2)C1.
What is the InChIKey of N'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide?
The InChIKey is TXCDXTMVBSXQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-12(18)3-2-6-16(9-12)11(17)13(10(14)15-19)4-7-20-8-5-13/h18-19H,2-9H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide?
N'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide has a molecular weight of 285.34 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide is sourced from PubChem (CID 104876801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).