methyl 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate

C16H25NO4 — CID 54179873

IUPACmethyl 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate
SMILESC=CC(=O)OC1CC(C)(C)N(C=CC(=O)OC)C(C)(C)C1
InChIInChI=1S/C16H25NO4/c1-7-13(18)21-12-10-15(2,3)17(16(4,5)11-12)9-8-14(19)20-6/h7-9,12H,1,10-11H2,2-6H3
InChIKeyPBAYMQVPQLYLNO-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.42
Rot. Bonds4

About methyl 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate

methyl 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate (PubChem CID 54179873) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate
PubChem CID54179873
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Namemethyl 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate
SMILESC=CC(=O)OC1CC(C)(C)N(C=CC(=O)OC)C(C)(C)C1
InChIInChI=1S/C16H25NO4/c1-7-13(18)21-12-10-15(2,3)17(16(4,5)11-12)9-8-14(19)20-6/h7-9,12H,1,10-11H2,2-6H3
InChIKeyPBAYMQVPQLYLNO-UHFFFAOYSA-N
XLogP2.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate 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 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate?
The IUPAC name of methyl 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate (CID 54179873) is methyl 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate is C=CC(=O)OC1CC(C)(C)N(C=CC(=O)OC)C(C)(C)C1.
What is the InChIKey of methyl 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate?
The InChIKey is PBAYMQVPQLYLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-7-13(18)21-12-10-15(2,3)17(16(4,5)11-12)9-8-14(19)20-6/h7-9,12H,1,10-11H2,2-6H3.
What are the key properties of methyl 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate?
methyl 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate has a molecular weight of 295.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,2,6,6-tetramethyl-4-prop-2-enoyloxypiperidin-1-yl)prop-2-enoate is sourced from PubChem (CID 54179873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).