ethyl 2-[(3-morpholin-4-ylpiperidine-1-carbonyl)amino]acetate

C14H25N3O4 — CID 126461881

IUPACethyl 2-[(3-morpholin-4-ylpiperidine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCC(N2CCOCC2)C1
InChIInChI=1S/C14H25N3O4/c1-2-21-13(18)10-15-14(19)17-5-3-4-12(11-17)16-6-8-20-9-7-16/h12H,2-11H2,1H3,(H,15,19)
InChIKeyNXOVHXGYDDGYQG-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.06
Rot. Bonds4

About ethyl 2-[(3-morpholin-4-ylpiperidine-1-carbonyl)amino]acetate

ethyl 2-[(3-morpholin-4-ylpiperidine-1-carbonyl)amino]acetate (PubChem CID 126461881) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 2-[(3-morpholin-4-ylpiperidine-1-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-morpholin-4-ylpiperidine-1-carbonyl)amino]acetate
PubChem CID126461881
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Nameethyl 2-[(3-morpholin-4-ylpiperidine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCC(N2CCOCC2)C1
InChIInChI=1S/C14H25N3O4/c1-2-21-13(18)10-15-14(19)17-5-3-4-12(11-17)16-6-8-20-9-7-16/h12H,2-11H2,1H3,(H,15,19)
InChIKeyNXOVHXGYDDGYQG-UHFFFAOYSA-N
XLogP0.06
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(3-morpholin-4-ylpiperidine-1-carbonyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-morpholin-4-ylpiperidine-1-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-morpholin-4-ylpiperidine-1-carbonyl)amino]acetate (CID 126461881) is ethyl 2-[(3-morpholin-4-ylpiperidine-1-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-morpholin-4-ylpiperidine-1-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-morpholin-4-ylpiperidine-1-carbonyl)amino]acetate is CCOC(=O)CNC(=O)N1CCCC(N2CCOCC2)C1.
What is the InChIKey of ethyl 2-[(3-morpholin-4-ylpiperidine-1-carbonyl)amino]acetate?
The InChIKey is NXOVHXGYDDGYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-2-21-13(18)10-15-14(19)17-5-3-4-12(11-17)16-6-8-20-9-7-16/h12H,2-11H2,1H3,(H,15,19).
What are the key properties of ethyl 2-[(3-morpholin-4-ylpiperidine-1-carbonyl)amino]acetate?
ethyl 2-[(3-morpholin-4-ylpiperidine-1-carbonyl)amino]acetate has a molecular weight of 299.37 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-morpholin-4-ylpiperidine-1-carbonyl)amino]acetate is sourced from PubChem (CID 126461881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).