ethyl 4-(methylcarbamoylamino)piperidine-1-carboxylate

C10H19N3O3 — CID 47127518

IUPACethyl 4-(methylcarbamoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NC)CC1
InChIInChI=1S/C10H19N3O3/c1-3-16-10(15)13-6-4-8(5-7-13)12-9(14)11-2/h8H,3-7H2,1-2H3,(H2,11,12,14)
InChIKeyHRHRUXGCUGTEHB-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.54
Rot. Bonds2

About ethyl 4-(methylcarbamoylamino)piperidine-1-carboxylate

ethyl 4-(methylcarbamoylamino)piperidine-1-carboxylate (PubChem CID 47127518) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 4-(methylcarbamoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(methylcarbamoylamino)piperidine-1-carboxylate
PubChem CID47127518
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Nameethyl 4-(methylcarbamoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NC)CC1
InChIInChI=1S/C10H19N3O3/c1-3-16-10(15)13-6-4-8(5-7-13)12-9(14)11-2/h8H,3-7H2,1-2H3,(H2,11,12,14)
InChIKeyHRHRUXGCUGTEHB-UHFFFAOYSA-N
XLogP0.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(methylcarbamoylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(methylcarbamoylamino)piperidine-1-carboxylate (CID 47127518) is ethyl 4-(methylcarbamoylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(methylcarbamoylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(methylcarbamoylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)NC)CC1.
What is the InChIKey of ethyl 4-(methylcarbamoylamino)piperidine-1-carboxylate?
The InChIKey is HRHRUXGCUGTEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-3-16-10(15)13-6-4-8(5-7-13)12-9(14)11-2/h8H,3-7H2,1-2H3,(H2,11,12,14).
What are the key properties of ethyl 4-(methylcarbamoylamino)piperidine-1-carboxylate?
ethyl 4-(methylcarbamoylamino)piperidine-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methylcarbamoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 47127518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).