methyl 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylate

C15H26N2O3 — CID 60677436

IUPACmethyl 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylate
SMILESC=C(C)CN(CC)C(=O)CN1CCC(C(=O)OC)CC1
InChIInChI=1S/C15H26N2O3/c1-5-17(10-12(2)3)14(18)11-16-8-6-13(7-9-16)15(19)20-4/h13H,2,5-11H2,1,3-4H3
InChIKeyRVGUSXDSTVUJMV-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.30
Rot. Bonds6

About methyl 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylate

methyl 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 60677436) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylate
PubChem CID60677436
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylate
SMILESC=C(C)CN(CC)C(=O)CN1CCC(C(=O)OC)CC1
InChIInChI=1S/C15H26N2O3/c1-5-17(10-12(2)3)14(18)11-16-8-6-13(7-9-16)15(19)20-4/h13H,2,5-11H2,1,3-4H3
InChIKeyRVGUSXDSTVUJMV-UHFFFAOYSA-N
XLogP1.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylate (CID 60677436) is methyl 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylate is C=C(C)CN(CC)C(=O)CN1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is RVGUSXDSTVUJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-17(10-12(2)3)14(18)11-16-8-6-13(7-9-16)15(19)20-4/h13H,2,5-11H2,1,3-4H3.
What are the key properties of methyl 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylate?
methyl 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 60677436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).