N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide

C13H23N3O4 — CID 76919469

IUPACN'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide
SMILESCOC1CCN(C(=O)C2(C(N)=NO)CCOCC2)CC1
InChIInChI=1S/C13H23N3O4/c1-19-10-2-6-16(7-3-10)12(17)13(11(14)15-18)4-8-20-9-5-13/h10,18H,2-9H2,1H3,(H2,14,15)
InChIKeyALVZMOLCQYMZIO-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.17
Rot. Bonds3

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

N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide (PubChem CID 76919469) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide
PubChem CID76919469
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC NameN'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide
SMILESCOC1CCN(C(=O)C2(C(N)=NO)CCOCC2)CC1
InChIInChI=1S/C13H23N3O4/c1-19-10-2-6-16(7-3-10)12(17)13(11(14)15-18)4-8-20-9-5-13/h10,18H,2-9H2,1H3,(H2,14,15)
InChIKeyALVZMOLCQYMZIO-UHFFFAOYSA-N
XLogP0.17
TPSA97.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.17
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

N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 103536725
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide
CID 76986956
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
N-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
CID 102736850
N'-hydroxy-1-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide
CID 80590861
N'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide
CID 104876801
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide
CID 81464935
N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide
CID 80594712
1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 76921050
N'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide
CID 76920695

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide?
The IUPAC name of N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide (CID 76919469) is N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide is COC1CCN(C(=O)C2(C(N)=NO)CCOCC2)CC1.
What is the InChIKey of N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide?
The InChIKey is ALVZMOLCQYMZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-19-10-2-6-16(7-3-10)12(17)13(11(14)15-18)4-8-20-9-5-13/h10,18H,2-9H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide?
N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide has a molecular weight of 285.34 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide is sourced from PubChem (CID 76919469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).