ethyl 2-(carbamoylamino)piperidine-1-carboxylate

C9H17N3O3 — CID 142653476

IUPACethyl 2-(carbamoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCCC1NC(N)=O
InChIInChI=1S/C9H17N3O3/c1-2-15-9(14)12-6-4-3-5-7(12)11-8(10)13/h7H,2-6H2,1H3,(H3,10,11,13)
InChIKeyQBARGGDDOXFBAN-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.62
Rot. Bonds2

About ethyl 2-(carbamoylamino)piperidine-1-carboxylate

ethyl 2-(carbamoylamino)piperidine-1-carboxylate (PubChem CID 142653476) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 2-(carbamoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(carbamoylamino)piperidine-1-carboxylate
PubChem CID142653476
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Nameethyl 2-(carbamoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCCC1NC(N)=O
InChIInChI=1S/C9H17N3O3/c1-2-15-9(14)12-6-4-3-5-7(12)11-8(10)13/h7H,2-6H2,1H3,(H3,10,11,13)
InChIKeyQBARGGDDOXFBAN-UHFFFAOYSA-N
XLogP0.62
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(carbamoylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 2-(carbamoylamino)piperidine-1-carboxylate (CID 142653476) is ethyl 2-(carbamoylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 2-(carbamoylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 2-(carbamoylamino)piperidine-1-carboxylate is CCOC(=O)N1CCCCC1NC(N)=O.
What is the InChIKey of ethyl 2-(carbamoylamino)piperidine-1-carboxylate?
The InChIKey is QBARGGDDOXFBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-2-15-9(14)12-6-4-3-5-7(12)11-8(10)13/h7H,2-6H2,1H3,(H3,10,11,13).
What are the key properties of ethyl 2-(carbamoylamino)piperidine-1-carboxylate?
ethyl 2-(carbamoylamino)piperidine-1-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(carbamoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 142653476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).