ethyl 1-propanoylpiperidine-2-carboxylate

C11H19NO3 — CID 23551512

IUPACethyl 1-propanoylpiperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)CC
InChIInChI=1S/C11H19NO3/c1-3-10(13)12-8-6-5-7-9(12)11(14)15-4-2/h9H,3-8H2,1-2H3
InChIKeyXEFKGMRIGVWMGX-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.34
Rot. Bonds3

About ethyl 1-propanoylpiperidine-2-carboxylate

ethyl 1-propanoylpiperidine-2-carboxylate (PubChem CID 23551512) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 1-propanoylpiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-propanoylpiperidine-2-carboxylate
PubChem CID23551512
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 1-propanoylpiperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)CC
InChIInChI=1S/C11H19NO3/c1-3-10(13)12-8-6-5-7-9(12)11(14)15-4-2/h9H,3-8H2,1-2H3
InChIKeyXEFKGMRIGVWMGX-UHFFFAOYSA-N
XLogP1.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylate
CID 9903902
Ethyl 1-methylpiperidine-2-carboxylate
CID 566742
1-Acetylpiperidine-2-carboxylic acid
CID 4472712
1-tert-Butyl 2-methyl piperidine-1,2-dicarboxylate
CID 10868493
1-Acetyl-2-carboxypiperidine
CID 5287692
1-Butanoylpiperidine-2-carboxylic acid
CID 20119283
(S)-1-tert-Butyl 2-ethyl 4-oxopiperidine-1,2-dicarboxylate
CID 11369276
1-(2-Oxo-propionyl)-piperidine-2-carboxylic acid ethyl ester
CID 10198461
methyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 11129344
(S)-Ethyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate
CID 22064769
(S)-Ethyl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 66742842
Methyl 1-methylpiperidine-2-carboxylate
CID 12957464

Frequently Asked Questions

What is the IUPAC name of ethyl 1-propanoylpiperidine-2-carboxylate?
The IUPAC name of ethyl 1-propanoylpiperidine-2-carboxylate (CID 23551512) is ethyl 1-propanoylpiperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-propanoylpiperidine-2-carboxylate?
The canonical SMILES for ethyl 1-propanoylpiperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)CC.
What is the InChIKey of ethyl 1-propanoylpiperidine-2-carboxylate?
The InChIKey is XEFKGMRIGVWMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-10(13)12-8-6-5-7-9(12)11(14)15-4-2/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 1-propanoylpiperidine-2-carboxylate?
ethyl 1-propanoylpiperidine-2-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-propanoylpiperidine-2-carboxylate is sourced from PubChem (CID 23551512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).