ethyl 4-(prop-2-enylcarbamoylamino)piperidine-1-carboxylate

C12H21N3O3 — CID 43036866

IUPACethyl 4-(prop-2-enylcarbamoylamino)piperidine-1-carboxylate
SMILESC=CCNC(=O)NC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C12H21N3O3/c1-3-7-13-11(16)14-10-5-8-15(9-6-10)12(17)18-4-2/h3,10H,1,4-9H2,2H3,(H2,13,14,16)
InChIKeyZPTCKVJPMJPXQA-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.09
Rot. Bonds4

About ethyl 4-(prop-2-enylcarbamoylamino)piperidine-1-carboxylate

ethyl 4-(prop-2-enylcarbamoylamino)piperidine-1-carboxylate (PubChem CID 43036866) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is ethyl 4-(prop-2-enylcarbamoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(prop-2-enylcarbamoylamino)piperidine-1-carboxylate
PubChem CID43036866
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Nameethyl 4-(prop-2-enylcarbamoylamino)piperidine-1-carboxylate
SMILESC=CCNC(=O)NC1CCN(C(=O)OCC)CC1
InChIInChI=1S/C12H21N3O3/c1-3-7-13-11(16)14-10-5-8-15(9-6-10)12(17)18-4-2/h3,10H,1,4-9H2,2H3,(H2,13,14,16)
InChIKeyZPTCKVJPMJPXQA-UHFFFAOYSA-N
XLogP1.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(prop-2-enylcarbamoylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(prop-2-enylcarbamoylamino)piperidine-1-carboxylate (CID 43036866) is ethyl 4-(prop-2-enylcarbamoylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(prop-2-enylcarbamoylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(prop-2-enylcarbamoylamino)piperidine-1-carboxylate is C=CCNC(=O)NC1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-(prop-2-enylcarbamoylamino)piperidine-1-carboxylate?
The InChIKey is ZPTCKVJPMJPXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-7-13-11(16)14-10-5-8-15(9-6-10)12(17)18-4-2/h3,10H,1,4-9H2,2H3,(H2,13,14,16).
What are the key properties of ethyl 4-(prop-2-enylcarbamoylamino)piperidine-1-carboxylate?
ethyl 4-(prop-2-enylcarbamoylamino)piperidine-1-carboxylate has a molecular weight of 255.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(prop-2-enylcarbamoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 43036866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).