ethyl 1-nitrosopiperidine-4-carboxylate

C8H14N2O3 — CID 122432208

IUPACethyl 1-nitrosopiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(N=O)CC1
InChIInChI=1S/C8H14N2O3/c1-2-13-8(11)7-3-5-10(9-12)6-4-7/h7H,2-6H2,1H3
InChIKeyAOQMXLKHSHYICM-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.94
Rot. Bonds3

About ethyl 1-nitrosopiperidine-4-carboxylate

ethyl 1-nitrosopiperidine-4-carboxylate (PubChem CID 122432208) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethyl 1-nitrosopiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-nitrosopiperidine-4-carboxylate
PubChem CID122432208
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Nameethyl 1-nitrosopiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(N=O)CC1
InChIInChI=1S/C8H14N2O3/c1-2-13-8(11)7-3-5-10(9-12)6-4-7/h7H,2-6H2,1H3
InChIKeyAOQMXLKHSHYICM-UHFFFAOYSA-N
XLogP0.94
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
N-Methylisonipecotic acid, ethyl ester, hydrochloride
CID 52991957
Ethyl 1-aminopiperidine-4-carboxylate
CID 53273624
Ethyl 1-(cyanomethyl)piperidine-4-carboxylate
CID 20754608
1-nitroso-4-Piperidinecarboxylic acid methyl ester
CID 12666814
N-Methylpethidine
CID 6452722
Ethyl 1-butylpiperidine-4-carboxylate
CID 9990801
Ethyl 1-propyl-piperidine-4-carboxylate
CID 21202791
Ethyl 1-fluoropiperidine-4-carboxylate
CID 149676262
Ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
Ethyl 2-methyl-4-piperidinobutyrate
CID 20361120
Methyl 1-piperidin-1-ylpiperidine-4-carboxylate
CID 20696532

Frequently Asked Questions

What is the IUPAC name of ethyl 1-nitrosopiperidine-4-carboxylate?
The IUPAC name of ethyl 1-nitrosopiperidine-4-carboxylate (CID 122432208) is ethyl 1-nitrosopiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-nitrosopiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-nitrosopiperidine-4-carboxylate is CCOC(=O)C1CCN(N=O)CC1.
What is the InChIKey of ethyl 1-nitrosopiperidine-4-carboxylate?
The InChIKey is AOQMXLKHSHYICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-13-8(11)7-3-5-10(9-12)6-4-7/h7H,2-6H2,1H3.
What are the key properties of ethyl 1-nitrosopiperidine-4-carboxylate?
ethyl 1-nitrosopiperidine-4-carboxylate has a molecular weight of 186.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-nitrosopiperidine-4-carboxylate is sourced from PubChem (CID 122432208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).