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

C13H23N3O3 — CID 108909382

IUPACtert-butyl 4-(ethenylcarbamoylamino)piperidine-1-carboxylate
SMILESC=CNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H23N3O3/c1-5-14-11(17)15-10-6-8-16(9-7-10)12(18)19-13(2,3)4/h5,10H,1,6-9H2,2-4H3,(H2,14,15,17)
InChIKeyXXLGFFYSMMODHZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.83
Rot. Bonds2

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

tert-butyl 4-(ethenylcarbamoylamino)piperidine-1-carboxylate (PubChem CID 108909382) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl 4-(ethenylcarbamoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(ethenylcarbamoylamino)piperidine-1-carboxylate
PubChem CID108909382
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nametert-butyl 4-(ethenylcarbamoylamino)piperidine-1-carboxylate
SMILESC=CNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H23N3O3/c1-5-14-11(17)15-10-6-8-16(9-7-10)12(18)19-13(2,3)4/h5,10H,1,6-9H2,2-4H3,(H2,14,15,17)
InChIKeyXXLGFFYSMMODHZ-UHFFFAOYSA-N
XLogP1.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(ethenylcarbamoylamino)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

Related Compounds

tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate
CID 71940585
tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 53255659
tert-butyl 4-(2,2,3-trimethylbut-3-enoylamino)piperidine-1-carboxylate
CID 126819529
tert-butyl 4-[2-(hydrazinecarbonyl)hydrazinyl]piperidine-1-carboxylate
CID 67643209
tert-butyl (3R)-3-(oxan-4-ylcarbamoylamino)pyrrolidine-1-carboxylate
CID 97212425
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
3-hydroxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid
CID 174532909
tert-butyl 4-[(2-nitroacetyl)amino]piperidine-1-carboxylate
CID 108814591
tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
CID 43652189
tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate
CID 107241659
tert-butyl 4-[[(1S)-1-cyclopropylethoxy]carbonylamino]piperidine-1-carboxylate
CID 129418730
tert-butyl 4-[[2-(thietan-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 126824092

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(ethenylcarbamoylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(ethenylcarbamoylamino)piperidine-1-carboxylate (CID 108909382) is tert-butyl 4-(ethenylcarbamoylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(ethenylcarbamoylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(ethenylcarbamoylamino)piperidine-1-carboxylate is C=CNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(ethenylcarbamoylamino)piperidine-1-carboxylate?
The InChIKey is XXLGFFYSMMODHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-5-14-11(17)15-10-6-8-16(9-7-10)12(18)19-13(2,3)4/h5,10H,1,6-9H2,2-4H3,(H2,14,15,17).
What are the key properties of tert-butyl 4-(ethenylcarbamoylamino)piperidine-1-carboxylate?
tert-butyl 4-(ethenylcarbamoylamino)piperidine-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(ethenylcarbamoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 108909382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).