ethyl 3-(piperidine-3-carbonylamino)propanoate

C11H20N2O3 — CID 15858669

IUPACethyl 3-(piperidine-3-carbonylamino)propanoate
SMILESCCOC(=O)CCNC(=O)C1CCCNC1
InChIInChI=1S/C11H20N2O3/c1-2-16-10(14)5-7-13-11(15)9-4-3-6-12-8-9/h9,12H,2-8H2,1H3,(H,13,15)
InChIKeyQMRQXAOYURZGGT-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.06
Rot. Bonds5

About ethyl 3-(piperidine-3-carbonylamino)propanoate

ethyl 3-(piperidine-3-carbonylamino)propanoate (PubChem CID 15858669) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 3-(piperidine-3-carbonylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(piperidine-3-carbonylamino)propanoate
PubChem CID15858669
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethyl 3-(piperidine-3-carbonylamino)propanoate
SMILESCCOC(=O)CCNC(=O)C1CCCNC1
InChIInChI=1S/C11H20N2O3/c1-2-16-10(14)5-7-13-11(15)9-4-3-6-12-8-9/h9,12H,2-8H2,1H3,(H,13,15)
InChIKeyQMRQXAOYURZGGT-UHFFFAOYSA-N
XLogP0.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(piperidine-3-carbonylamino)propanoate?
The IUPAC name of ethyl 3-(piperidine-3-carbonylamino)propanoate (CID 15858669) is ethyl 3-(piperidine-3-carbonylamino)propanoate.
What is the SMILES notation for ethyl 3-(piperidine-3-carbonylamino)propanoate?
The canonical SMILES for ethyl 3-(piperidine-3-carbonylamino)propanoate is CCOC(=O)CCNC(=O)C1CCCNC1.
What is the InChIKey of ethyl 3-(piperidine-3-carbonylamino)propanoate?
The InChIKey is QMRQXAOYURZGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-16-10(14)5-7-13-11(15)9-4-3-6-12-8-9/h9,12H,2-8H2,1H3,(H,13,15).
What are the key properties of ethyl 3-(piperidine-3-carbonylamino)propanoate?
ethyl 3-(piperidine-3-carbonylamino)propanoate has a molecular weight of 228.29 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(piperidine-3-carbonylamino)propanoate is sourced from PubChem (CID 15858669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).