[(1-methoxy-1-oxopent-4-en-2-yl)amino] piperidine-1-carboxylate

C12H20N2O4 — CID 152569836

IUPAC[(1-methoxy-1-oxopent-4-en-2-yl)amino] piperidine-1-carboxylate
SMILESC=CCC(NOC(=O)N1CCCCC1)C(=O)OC
InChIInChI=1S/C12H20N2O4/c1-3-7-10(11(15)17-2)13-18-12(16)14-8-5-4-6-9-14/h3,10,13H,1,4-9H2,2H3
InChIKeyYRGCIAVKKWEVSY-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.23
Rot. Bonds5

About [(1-methoxy-1-oxopent-4-en-2-yl)amino] piperidine-1-carboxylate

[(1-methoxy-1-oxopent-4-en-2-yl)amino] piperidine-1-carboxylate (PubChem CID 152569836) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is [(1-methoxy-1-oxopent-4-en-2-yl)amino] piperidine-1-carboxylate.

Molecular Properties

Compound Name[(1-methoxy-1-oxopent-4-en-2-yl)amino] piperidine-1-carboxylate
PubChem CID152569836
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name[(1-methoxy-1-oxopent-4-en-2-yl)amino] piperidine-1-carboxylate
SMILESC=CCC(NOC(=O)N1CCCCC1)C(=O)OC
InChIInChI=1S/C12H20N2O4/c1-3-7-10(11(15)17-2)13-18-12(16)14-8-5-4-6-9-14/h3,10,13H,1,4-9H2,2H3
InChIKeyYRGCIAVKKWEVSY-UHFFFAOYSA-N
XLogP1.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1-methoxy-1-oxopent-4-en-2-yl)amino] piperidine-1-carboxylate?
The IUPAC name of [(1-methoxy-1-oxopent-4-en-2-yl)amino] piperidine-1-carboxylate (CID 152569836) is [(1-methoxy-1-oxopent-4-en-2-yl)amino] piperidine-1-carboxylate.
What is the SMILES notation for [(1-methoxy-1-oxopent-4-en-2-yl)amino] piperidine-1-carboxylate?
The canonical SMILES for [(1-methoxy-1-oxopent-4-en-2-yl)amino] piperidine-1-carboxylate is C=CCC(NOC(=O)N1CCCCC1)C(=O)OC.
What is the InChIKey of [(1-methoxy-1-oxopent-4-en-2-yl)amino] piperidine-1-carboxylate?
The InChIKey is YRGCIAVKKWEVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-7-10(11(15)17-2)13-18-12(16)14-8-5-4-6-9-14/h3,10,13H,1,4-9H2,2H3.
What are the key properties of [(1-methoxy-1-oxopent-4-en-2-yl)amino] piperidine-1-carboxylate?
[(1-methoxy-1-oxopent-4-en-2-yl)amino] piperidine-1-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-methoxy-1-oxopent-4-en-2-yl)amino] piperidine-1-carboxylate is sourced from PubChem (CID 152569836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).