ethyl 1-(methylcarbamoyl)-4-oxopiperidine-3-carboxylate

C10H16N2O4 — CID 18760282

IUPACethyl 1-(methylcarbamoyl)-4-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1CN(C(=O)NC)CCC1=O
InChIInChI=1S/C10H16N2O4/c1-3-16-9(14)7-6-12(10(15)11-2)5-4-8(7)13/h7H,3-6H2,1-2H3,(H,11,15)
InChIKeyJNHPBPRYPPNAAE-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.22
Rot. Bonds2

About ethyl 1-(methylcarbamoyl)-4-oxopiperidine-3-carboxylate

ethyl 1-(methylcarbamoyl)-4-oxopiperidine-3-carboxylate (PubChem CID 18760282) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is ethyl 1-(methylcarbamoyl)-4-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylcarbamoyl)-4-oxopiperidine-3-carboxylate
PubChem CID18760282
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Nameethyl 1-(methylcarbamoyl)-4-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1CN(C(=O)NC)CCC1=O
InChIInChI=1S/C10H16N2O4/c1-3-16-9(14)7-6-12(10(15)11-2)5-4-8(7)13/h7H,3-6H2,1-2H3,(H,11,15)
InChIKeyJNHPBPRYPPNAAE-UHFFFAOYSA-N
XLogP-0.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate
CID 6420876
Ethyl 4-oxo-1-propanoylpiperidine-3-carboxylate
CID 15529903
Ethyl 1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 7378827
Ethyl 1-(diethylcarbamoyl)-4-oxopiperidine-3-carboxylate
CID 11311747
Butyl 1-acetyl-4-oxopiperidine-3-carboxylate
CID 15529904
ethyl (3S)-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate
CID 103778745
ethyl (3R)-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate
CID 103778748
Ethyl 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate
CID 113224228
Ethyl 1-[(dimethylamino)carbonyl]piperidine-3-carboxylate
CID 2973524
ethyl 1-(N,N-diethylcarbamoyl)piperidine-3-carboxylate
CID 2986637
ethyl (3R)-1-(dimethylcarbamoyl)piperidine-3-carboxylate
CID 2228482
Ethyl 2,4-dioxopiperidine-3-carboxylate
CID 10419886

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylcarbamoyl)-4-oxopiperidine-3-carboxylate?
The IUPAC name of ethyl 1-(methylcarbamoyl)-4-oxopiperidine-3-carboxylate (CID 18760282) is ethyl 1-(methylcarbamoyl)-4-oxopiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(methylcarbamoyl)-4-oxopiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(methylcarbamoyl)-4-oxopiperidine-3-carboxylate is CCOC(=O)C1CN(C(=O)NC)CCC1=O.
What is the InChIKey of ethyl 1-(methylcarbamoyl)-4-oxopiperidine-3-carboxylate?
The InChIKey is JNHPBPRYPPNAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-16-9(14)7-6-12(10(15)11-2)5-4-8(7)13/h7H,3-6H2,1-2H3,(H,11,15).
What are the key properties of ethyl 1-(methylcarbamoyl)-4-oxopiperidine-3-carboxylate?
ethyl 1-(methylcarbamoyl)-4-oxopiperidine-3-carboxylate has a molecular weight of 228.25 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylcarbamoyl)-4-oxopiperidine-3-carboxylate is sourced from PubChem (CID 18760282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).