ethyl 4-(cyclopent-3-en-1-ylamino)piperidine-1-carboxylate

C13H22N2O2 — CID 75516635

IUPACethyl 4-(cyclopent-3-en-1-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CC=CC2)CC1
InChIInChI=1S/C13H22N2O2/c1-2-17-13(16)15-9-7-12(8-10-15)14-11-5-3-4-6-11/h3-4,11-12,14H,2,5-10H2,1H3
InChIKeyMPXWXIOKTHBYRB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.92
Rot. Bonds3

About ethyl 4-(cyclopent-3-en-1-ylamino)piperidine-1-carboxylate

ethyl 4-(cyclopent-3-en-1-ylamino)piperidine-1-carboxylate (PubChem CID 75516635) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethyl 4-(cyclopent-3-en-1-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclopent-3-en-1-ylamino)piperidine-1-carboxylate
PubChem CID75516635
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Nameethyl 4-(cyclopent-3-en-1-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CC=CC2)CC1
InChIInChI=1S/C13H22N2O2/c1-2-17-13(16)15-9-7-12(8-10-15)14-11-5-3-4-6-11/h3-4,11-12,14H,2,5-10H2,1H3
InChIKeyMPXWXIOKTHBYRB-UHFFFAOYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
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-(cyclopent-3-en-1-ylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(cyclopent-3-en-1-ylamino)piperidine-1-carboxylate (CID 75516635) is ethyl 4-(cyclopent-3-en-1-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(cyclopent-3-en-1-ylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(cyclopent-3-en-1-ylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC2CC=CC2)CC1.
What is the InChIKey of ethyl 4-(cyclopent-3-en-1-ylamino)piperidine-1-carboxylate?
The InChIKey is MPXWXIOKTHBYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-17-13(16)15-9-7-12(8-10-15)14-11-5-3-4-6-11/h3-4,11-12,14H,2,5-10H2,1H3.
What are the key properties of ethyl 4-(cyclopent-3-en-1-ylamino)piperidine-1-carboxylate?
ethyl 4-(cyclopent-3-en-1-ylamino)piperidine-1-carboxylate has a molecular weight of 238.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclopent-3-en-1-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 75516635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).