ethyl 1-propanoylpiperidine-4-carboxylate

C11H19NO3 — CID 4777980

IUPACethyl 1-propanoylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC)CC1
InChIInChI=1S/C11H19NO3/c1-3-10(13)12-7-5-9(6-8-12)11(14)15-4-2/h9H,3-8H2,1-2H3
InChIKeyHUBFYGRAEBSHRR-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.20
Rot. Bonds3

About ethyl 1-propanoylpiperidine-4-carboxylate

ethyl 1-propanoylpiperidine-4-carboxylate (PubChem CID 4777980) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 1-propanoylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-propanoylpiperidine-4-carboxylate
PubChem CID4777980
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 1-propanoylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC)CC1
InChIInChI=1S/C11H19NO3/c1-3-10(13)12-7-5-9(6-8-12)11(14)15-4-2/h9H,3-8H2,1-2H3
InChIKeyHUBFYGRAEBSHRR-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(cyclohexylcarbonyl)piperidine-4-carboxylate
CID 808378
1-Acetylpiperidine-4-carboxylic acid
CID 117255
1-N-Boc-4-Piperidinecarboxylic acid methyl ester
CID 392870
1-Tert-butyl 4-ethyl piperidine-1,4-dicarboxylate
CID 2758812
Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
Methyl 1-Methyl-4-piperidinecarboxylate
CID 3616844
Ethyl 1-(dimethylcarbamoyl)piperidine-4-carboxylate
CID 1829960
Ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate
CID 5185709
Ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate
CID 736836
1-(Methoxycarbonyl)piperidine-4-carboxylic acid
CID 1490569
1-(Ethoxycarbonyl)-4-piperidinecarboxylic Acid
CID 6618886
Ethyl 1-[(diethylamino)carbonyl]-4-piperidinecarboxylate
CID 2989403

Frequently Asked Questions

What is the IUPAC name of ethyl 1-propanoylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-propanoylpiperidine-4-carboxylate (CID 4777980) is ethyl 1-propanoylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-propanoylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-propanoylpiperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CC)CC1.
What is the InChIKey of ethyl 1-propanoylpiperidine-4-carboxylate?
The InChIKey is HUBFYGRAEBSHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-10(13)12-7-5-9(6-8-12)11(14)15-4-2/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 1-propanoylpiperidine-4-carboxylate?
ethyl 1-propanoylpiperidine-4-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-propanoylpiperidine-4-carboxylate is sourced from PubChem (CID 4777980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).