ethyl 1-[3-(ethylamino)propanoyl]piperidine-4-carboxylate

C13H24N2O3 — CID 62831392

IUPACethyl 1-[3-(ethylamino)propanoyl]piperidine-4-carboxylate
SMILESCCNCCC(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C13H24N2O3/c1-3-14-8-5-12(16)15-9-6-11(7-10-15)13(17)18-4-2/h11,14H,3-10H2,1-2H3
InChIKeyJYQBERCCYRPTOW-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.79
Rot. Bonds6

About ethyl 1-[3-(ethylamino)propanoyl]piperidine-4-carboxylate

ethyl 1-[3-(ethylamino)propanoyl]piperidine-4-carboxylate (PubChem CID 62831392) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 1-[3-(ethylamino)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(ethylamino)propanoyl]piperidine-4-carboxylate
PubChem CID62831392
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 1-[3-(ethylamino)propanoyl]piperidine-4-carboxylate
SMILESCCNCCC(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C13H24N2O3/c1-3-14-8-5-12(16)15-9-6-11(7-10-15)13(17)18-4-2/h11,14H,3-10H2,1-2H3
InChIKeyJYQBERCCYRPTOW-UHFFFAOYSA-N
XLogP0.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(ethylamino)propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(ethylamino)propanoyl]piperidine-4-carboxylate (CID 62831392) is ethyl 1-[3-(ethylamino)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(ethylamino)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(ethylamino)propanoyl]piperidine-4-carboxylate is CCNCCC(=O)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-[3-(ethylamino)propanoyl]piperidine-4-carboxylate?
The InChIKey is JYQBERCCYRPTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-14-8-5-12(16)15-9-6-11(7-10-15)13(17)18-4-2/h11,14H,3-10H2,1-2H3.
What are the key properties of ethyl 1-[3-(ethylamino)propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-(ethylamino)propanoyl]piperidine-4-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(ethylamino)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 62831392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).