tert-butyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate

C13H25N3O3 — CID 47252141

IUPACtert-butyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
SMILESCCNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H25N3O3/c1-5-14-11(17)15-10-6-8-16(9-7-10)12(18)19-13(2,3)4/h10H,5-9H2,1-4H3,(H2,14,15,17)
InChIKeyRJTWKJBRZBULLW-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.71
Rot. Bonds2

About tert-butyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate

tert-butyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate (PubChem CID 47252141) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
PubChem CID47252141
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Nametert-butyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate
SMILESCCNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H25N3O3/c1-5-14-11(17)15-10-6-8-16(9-7-10)12(18)19-13(2,3)4/h10H,5-9H2,1-4H3,(H2,14,15,17)
InChIKeyRJTWKJBRZBULLW-UHFFFAOYSA-N
XLogP1.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate 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 tert-butyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate (CID 47252141) is tert-butyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate is CCNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate?
The InChIKey is RJTWKJBRZBULLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-5-14-11(17)15-10-6-8-16(9-7-10)12(18)19-13(2,3)4/h10H,5-9H2,1-4H3,(H2,14,15,17).
What are the key properties of tert-butyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate?
tert-butyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(ethylcarbamoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 47252141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).