N'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide

C13H23N3O3 — CID 107162353

IUPACN'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide
SMILESCC1(C(N)=NO)CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C13H23N3O3/c1-13(12(14)15-18)4-6-16(7-5-13)11(17)10-2-8-19-9-3-10/h10,18H,2-9H2,1H3,(H2,14,15)
InChIKeyFRFMMFPYZPQXNM-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.79
Rot. Bonds2

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

N'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide (PubChem CID 107162353) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide
PubChem CID107162353
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide
SMILESCC1(C(N)=NO)CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C13H23N3O3/c1-13(12(14)15-18)4-6-16(7-5-13)11(17)10-2-8-19-9-3-10/h10,18H,2-9H2,1H3,(H2,14,15)
InChIKeyFRFMMFPYZPQXNM-UHFFFAOYSA-N
XLogP0.79
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.79
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

(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278
(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone
CID 97399383
N'-hydroxy-4-methyl-1-[3-(oxan-2-yl)propanoyl]piperidine-4-carboximidamide
CID 107162390
N'-hydroxy-4-methyl-1-(2-methylsulfanylacetyl)piperidine-4-carboximidamide
CID 107162505
N'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide
CID 79680809
[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 97418040
1-(2,2-dimethylbutanoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162538
(4-amino-4-methylpiperidin-1-yl)-cyclopropylmethanone;hydrochloride
CID 130809222
[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764611
(3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane
CID 144942244
N'-hydroxy-4-methyl-1-(5-methylfuran-2-carbonyl)piperidine-4-carboximidamide
CID 107162414
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 112537685

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide (CID 107162353) is N'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide is CC1(C(N)=NO)CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of N'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide?
The InChIKey is FRFMMFPYZPQXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-13(12(14)15-18)4-6-16(7-5-13)11(17)10-2-8-19-9-3-10/h10,18H,2-9H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide?
N'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide has a molecular weight of 269.34 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide is sourced from PubChem (CID 107162353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).