ethyl 2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]prop-2-enoate

C12H20N2O3 — CID 103253004

IUPACethyl 2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]prop-2-enoate
SMILESC=C(CNC1CCC(=O)N(C)C1)C(=O)OCC
InChIInChI=1S/C12H20N2O3/c1-4-17-12(16)9(2)7-13-10-5-6-11(15)14(3)8-10/h10,13H,2,4-8H2,1,3H3
InChIKeyIHJRUQARACGNJO-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.32
Rot. Bonds5

About ethyl 2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]prop-2-enoate

ethyl 2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]prop-2-enoate (PubChem CID 103253004) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethyl 2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]prop-2-enoate
PubChem CID103253004
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nameethyl 2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]prop-2-enoate
SMILESC=C(CNC1CCC(=O)N(C)C1)C(=O)OCC
InChIInChI=1S/C12H20N2O3/c1-4-17-12(16)9(2)7-13-10-5-6-11(15)14(3)8-10/h10,13H,2,4-8H2,1,3H3
InChIKeyIHJRUQARACGNJO-UHFFFAOYSA-N
XLogP0.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]prop-2-enoate (CID 103253004) is ethyl 2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]prop-2-enoate is C=C(CNC1CCC(=O)N(C)C1)C(=O)OCC.
What is the InChIKey of ethyl 2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]prop-2-enoate?
The InChIKey is IHJRUQARACGNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-17-12(16)9(2)7-13-10-5-6-11(15)14(3)8-10/h10,13H,2,4-8H2,1,3H3.
What are the key properties of ethyl 2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]prop-2-enoate?
ethyl 2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]prop-2-enoate has a molecular weight of 240.30 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]prop-2-enoate is sourced from PubChem (CID 103253004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).