1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide

C15H27N3O3 — CID 76921686

IUPAC1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
SMILESCCOC1CCCN(C(=O)C2(C(N)=NO)CCCCC2)C1
InChIInChI=1S/C15H27N3O3/c1-2-21-12-7-6-10-18(11-12)14(19)15(13(16)17-20)8-4-3-5-9-15/h12,20H,2-11H2,1H3,(H2,16,17)
InChIKeyJRBOIVCKDXPPSP-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.71
Rot. Bonds4

About 1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide

1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide (PubChem CID 76921686) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide.

Molecular Properties

Compound Name1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
PubChem CID76921686
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
SMILESCCOC1CCCN(C(=O)C2(C(N)=NO)CCCCC2)C1
InChIInChI=1S/C15H27N3O3/c1-2-21-12-7-6-10-18(11-12)14(19)15(13(16)17-20)8-4-3-5-9-15/h12,20H,2-11H2,1H3,(H2,16,17)
InChIKeyJRBOIVCKDXPPSP-UHFFFAOYSA-N
XLogP1.71
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.71
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

1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 76921633
1-(3-ethoxypiperidine-1-carbonyl)cyclobutane-1-carbothioamide
CID 80588872
N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 103536725
N'-hydroxy-1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboximidamide
CID 106588198
N'-hydroxy-1-(3-methylpiperidine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920228
[1-(aminomethyl)cyclobutyl]-(3-ethoxypiperidin-1-yl)methanone
CID 80587348
1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylpiperidine-3-carboxamide
CID 103197545
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 55159374
1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide
CID 77024798
N'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide
CID 103942925
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide?
The IUPAC name of 1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide (CID 76921686) is 1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide.
What is the SMILES notation for 1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide?
The canonical SMILES for 1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide is CCOC1CCCN(C(=O)C2(C(N)=NO)CCCCC2)C1.
What is the InChIKey of 1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide?
The InChIKey is JRBOIVCKDXPPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-21-12-7-6-10-18(11-12)14(19)15(13(16)17-20)8-4-3-5-9-15/h12,20H,2-11H2,1H3,(H2,16,17).
What are the key properties of 1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide?
1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide has a molecular weight of 297.40 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide is sourced from PubChem (CID 76921686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).