ethyl 1-(hydroxycarbamoyl)piperidine-4-carboxylate

C9H16N2O4 — CID 25263503

IUPACethyl 1-(hydroxycarbamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NO)CC1
InChIInChI=1S/C9H16N2O4/c1-2-15-8(12)7-3-5-11(6-4-7)9(13)10-14/h7,14H,2-6H2,1H3,(H,10,13)
InChIKeyFQXJSAOLYAUFAI-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.36
Rot. Bonds2

About ethyl 1-(hydroxycarbamoyl)piperidine-4-carboxylate

ethyl 1-(hydroxycarbamoyl)piperidine-4-carboxylate (PubChem CID 25263503) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl 1-(hydroxycarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(hydroxycarbamoyl)piperidine-4-carboxylate
PubChem CID25263503
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Nameethyl 1-(hydroxycarbamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NO)CC1
InChIInChI=1S/C9H16N2O4/c1-2-15-8(12)7-3-5-11(6-4-7)9(13)10-14/h7,14H,2-6H2,1H3,(H,10,13)
InChIKeyFQXJSAOLYAUFAI-UHFFFAOYSA-N
XLogP0.36
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 1-(hydroxycarbamoyl)piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 1-(dimethylcarbamoyl)piperidine-4-carboxylate
CID 1829960
Ethyl 1-[(diethylamino)carbonyl]-4-piperidinecarboxylate
CID 2989403
4-Ethyl 1-methyl piperidine-1,4-dicarboxylate
CID 16641058
Methyl 1-[(diethylamino)carbonyl]-4-piperidinecarboxylate
CID 2987642
Methyl 1-carbamoylpiperidine-4-carboxylate
CID 4850926
Isonipecotic acid, N-methoxycarbonyl-, propyl ester
CID 91725475
Isonipecotic acid, N-methoxycarbonyl-, isobutyl ester
CID 91728435
Isonipecotic acid, N-methoxycarbonyl-, butyl ester
CID 91728456
Ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
Ethyl 1-(ethylcarbamoyl)piperidine-4-carboxylate
CID 13106483
2-[(4-Ethoxycarbonylpiperidine-1-carbonyl)amino]acetic acid
CID 22465570
Ethyl 1-carbamoylpiperidine-4-carboxylate
CID 33789597

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(hydroxycarbamoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(hydroxycarbamoyl)piperidine-4-carboxylate (CID 25263503) is ethyl 1-(hydroxycarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(hydroxycarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(hydroxycarbamoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)NO)CC1.
What is the InChIKey of ethyl 1-(hydroxycarbamoyl)piperidine-4-carboxylate?
The InChIKey is FQXJSAOLYAUFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-2-15-8(12)7-3-5-11(6-4-7)9(13)10-14/h7,14H,2-6H2,1H3,(H,10,13).
What are the key properties of ethyl 1-(hydroxycarbamoyl)piperidine-4-carboxylate?
ethyl 1-(hydroxycarbamoyl)piperidine-4-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(hydroxycarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 25263503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).