ethyl 4-[[2-(tert-butylamino)-2-oxoacetyl]amino]piperidine-1-carboxylate

C14H25N3O4 — CID 45497341

IUPACethyl 4-[[2-(tert-butylamino)-2-oxoacetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H25N3O4/c1-5-21-13(20)17-8-6-10(7-9-17)15-11(18)12(19)16-14(2,3)4/h10H,5-9H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyCHNOKLCYWDLYEI-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.64
Rot. Bonds2

About ethyl 4-[[2-(tert-butylamino)-2-oxoacetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(tert-butylamino)-2-oxoacetyl]amino]piperidine-1-carboxylate (PubChem CID 45497341) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 4-[[2-(tert-butylamino)-2-oxoacetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(tert-butylamino)-2-oxoacetyl]amino]piperidine-1-carboxylate
PubChem CID45497341
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Nameethyl 4-[[2-(tert-butylamino)-2-oxoacetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H25N3O4/c1-5-21-13(20)17-8-6-10(7-9-17)15-11(18)12(19)16-14(2,3)4/h10H,5-9H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyCHNOKLCYWDLYEI-UHFFFAOYSA-N
XLogP0.64
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(tert-butylamino)-2-oxoacetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(tert-butylamino)-2-oxoacetyl]amino]piperidine-1-carboxylate (CID 45497341) is ethyl 4-[[2-(tert-butylamino)-2-oxoacetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(tert-butylamino)-2-oxoacetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(tert-butylamino)-2-oxoacetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C(=O)NC(C)(C)C)CC1.
What is the InChIKey of ethyl 4-[[2-(tert-butylamino)-2-oxoacetyl]amino]piperidine-1-carboxylate?
The InChIKey is CHNOKLCYWDLYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-5-21-13(20)17-8-6-10(7-9-17)15-11(18)12(19)16-14(2,3)4/h10H,5-9H2,1-4H3,(H,15,18)(H,16,19).
What are the key properties of ethyl 4-[[2-(tert-butylamino)-2-oxoacetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(tert-butylamino)-2-oxoacetyl]amino]piperidine-1-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(tert-butylamino)-2-oxoacetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 45497341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).