tert-butyl 4-[[(2-ethoxyacetyl)amino]carbamoyl]piperidine-1-carboxylate

C15H27N3O5 — CID 59347451

IUPACtert-butyl 4-[[(2-ethoxyacetyl)amino]carbamoyl]piperidine-1-carboxylate
SMILESCCOCC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27N3O5/c1-5-22-10-12(19)16-17-13(20)11-6-8-18(9-7-11)14(21)23-15(2,3)4/h11H,5-10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyDESXFHGAXIELAF-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.82
Rot. Bonds4

About tert-butyl 4-[[(2-ethoxyacetyl)amino]carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[(2-ethoxyacetyl)amino]carbamoyl]piperidine-1-carboxylate (PubChem CID 59347451) has the molecular formula C15H27N3O5 and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl 4-[[(2-ethoxyacetyl)amino]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(2-ethoxyacetyl)amino]carbamoyl]piperidine-1-carboxylate
PubChem CID59347451
Molecular FormulaC15H27N3O5
Molecular Weight329.40 g/mol
Exact Mass329.20
IUPAC Nametert-butyl 4-[[(2-ethoxyacetyl)amino]carbamoyl]piperidine-1-carboxylate
SMILESCCOCC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27N3O5/c1-5-22-10-12(19)16-17-13(20)11-6-8-18(9-7-11)14(21)23-15(2,3)4/h11H,5-10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyDESXFHGAXIELAF-UHFFFAOYSA-N
XLogP0.82
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(2-ethoxyacetyl)amino]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(2-ethoxyacetyl)amino]carbamoyl]piperidine-1-carboxylate (CID 59347451) is tert-butyl 4-[[(2-ethoxyacetyl)amino]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(2-ethoxyacetyl)amino]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(2-ethoxyacetyl)amino]carbamoyl]piperidine-1-carboxylate is CCOCC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[(2-ethoxyacetyl)amino]carbamoyl]piperidine-1-carboxylate?
The InChIKey is DESXFHGAXIELAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O5/c1-5-22-10-12(19)16-17-13(20)11-6-8-18(9-7-11)14(21)23-15(2,3)4/h11H,5-10H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of tert-butyl 4-[[(2-ethoxyacetyl)amino]carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[(2-ethoxyacetyl)amino]carbamoyl]piperidine-1-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(2-ethoxyacetyl)amino]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 59347451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).