2-(4-ethoxypiperidine-1-carbonyl)-N'-hydroxypentanimidamide

C13H25N3O3 — CID 76925085

IUPAC2-(4-ethoxypiperidine-1-carbonyl)-N'-hydroxypentanimidamide
SMILESCCCC(C(=O)N1CCC(OCC)CC1)C(N)=NO
InChIInChI=1S/C13H25N3O3/c1-3-5-11(12(14)15-18)13(17)16-8-6-10(7-9-16)19-4-2/h10-11,18H,3-9H2,1-2H3,(H2,14,15)
InChIKeyGPFSZXWZLOIRKS-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.18
Rot. Bonds6

About 2-(4-ethoxypiperidine-1-carbonyl)-N'-hydroxypentanimidamide

2-(4-ethoxypiperidine-1-carbonyl)-N'-hydroxypentanimidamide (PubChem CID 76925085) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(4-ethoxypiperidine-1-carbonyl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name2-(4-ethoxypiperidine-1-carbonyl)-N'-hydroxypentanimidamide
PubChem CID76925085
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-(4-ethoxypiperidine-1-carbonyl)-N'-hydroxypentanimidamide
SMILESCCCC(C(=O)N1CCC(OCC)CC1)C(N)=NO
InChIInChI=1S/C13H25N3O3/c1-3-5-11(12(14)15-18)13(17)16-8-6-10(7-9-16)19-4-2/h10-11,18H,3-9H2,1-2H3,(H2,14,15)
InChIKeyGPFSZXWZLOIRKS-UHFFFAOYSA-N
XLogP1.18
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.18
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

N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pentanimidamide
CID 113356030
2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide
CID 79181074
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)-N'-hydroxypentanimidamide
CID 76924781
(2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one
CID 103831470
4-ethoxy-N'-hydroxypiperidine-1-carboximidamide
CID 62481285
3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76926876
ethyl 2-(4-ethoxypiperidine-1-carbonyl)-3,3-dimethylbutanoate
CID 116537808
2-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide
CID 76939929
3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 61220902
N'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide
CID 77073204
N'-hydroxy-2-(4-methylazepane-1-carbonyl)butanimidamide
CID 77002393
N'-hydroxy-2-[2-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pentanimidamide
CID 112748780

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypiperidine-1-carbonyl)-N'-hydroxypentanimidamide?
The IUPAC name of 2-(4-ethoxypiperidine-1-carbonyl)-N'-hydroxypentanimidamide (CID 76925085) is 2-(4-ethoxypiperidine-1-carbonyl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 2-(4-ethoxypiperidine-1-carbonyl)-N'-hydroxypentanimidamide?
The canonical SMILES for 2-(4-ethoxypiperidine-1-carbonyl)-N'-hydroxypentanimidamide is CCCC(C(=O)N1CCC(OCC)CC1)C(N)=NO.
What is the InChIKey of 2-(4-ethoxypiperidine-1-carbonyl)-N'-hydroxypentanimidamide?
The InChIKey is GPFSZXWZLOIRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-3-5-11(12(14)15-18)13(17)16-8-6-10(7-9-16)19-4-2/h10-11,18H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of 2-(4-ethoxypiperidine-1-carbonyl)-N'-hydroxypentanimidamide?
2-(4-ethoxypiperidine-1-carbonyl)-N'-hydroxypentanimidamide has a molecular weight of 271.36 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypiperidine-1-carbonyl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 76925085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).