methyl 2-(piperidin-3-ylmethyl)prop-2-enoate

C10H17NO2 — CID 117266963

IUPACmethyl 2-(piperidin-3-ylmethyl)prop-2-enoate
SMILESC=C(CC1CCCNC1)C(=O)OC
InChIInChI=1S/C10H17NO2/c1-8(10(12)13-2)6-9-4-3-5-11-7-9/h9,11H,1,3-7H2,2H3
InChIKeyFTKQAERPQAQNFC-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.11
Rot. Bonds3

About methyl 2-(piperidin-3-ylmethyl)prop-2-enoate

methyl 2-(piperidin-3-ylmethyl)prop-2-enoate (PubChem CID 117266963) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-(piperidin-3-ylmethyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(piperidin-3-ylmethyl)prop-2-enoate
PubChem CID117266963
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-(piperidin-3-ylmethyl)prop-2-enoate
SMILESC=C(CC1CCCNC1)C(=O)OC
InChIInChI=1S/C10H17NO2/c1-8(10(12)13-2)6-9-4-3-5-11-7-9/h9,11H,1,3-7H2,2H3
InChIKeyFTKQAERPQAQNFC-UHFFFAOYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-(piperidin-3-ylmethyl)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 2-(piperidin-3-ylmethyl)prop-2-enoate?
The IUPAC name of methyl 2-(piperidin-3-ylmethyl)prop-2-enoate (CID 117266963) is methyl 2-(piperidin-3-ylmethyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(piperidin-3-ylmethyl)prop-2-enoate?
The canonical SMILES for methyl 2-(piperidin-3-ylmethyl)prop-2-enoate is C=C(CC1CCCNC1)C(=O)OC.
What is the InChIKey of methyl 2-(piperidin-3-ylmethyl)prop-2-enoate?
The InChIKey is FTKQAERPQAQNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(10(12)13-2)6-9-4-3-5-11-7-9/h9,11H,1,3-7H2,2H3.
What are the key properties of methyl 2-(piperidin-3-ylmethyl)prop-2-enoate?
methyl 2-(piperidin-3-ylmethyl)prop-2-enoate has a molecular weight of 183.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(piperidin-3-ylmethyl)prop-2-enoate is sourced from PubChem (CID 117266963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).