tert-butyl 4-[3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate

C15H26N2O3 — CID 53410988

IUPACtert-butyl 4-[3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate
SMILESCN(C)C=CC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26N2O3/c1-15(2,3)20-14(19)17-10-6-12(7-11-17)13(18)8-9-16(4)5/h8-9,12H,6-7,10-11H2,1-5H3
InChIKeyNWAKHTZENIYBGL-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.28
Rot. Bonds3

About tert-butyl 4-[3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate

tert-butyl 4-[3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate (PubChem CID 53410988) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl 4-[3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate
PubChem CID53410988
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl 4-[3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate
SMILESCN(C)C=CC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26N2O3/c1-15(2,3)20-14(19)17-10-6-12(7-11-17)13(18)8-9-16(4)5/h8-9,12H,6-7,10-11H2,1-5H3
InChIKeyNWAKHTZENIYBGL-UHFFFAOYSA-N
XLogP2.28
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[3-(dimethylamino)prop-2-enoyl]piperidine-1-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 tert-butyl 4-[3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate (CID 53410988) is tert-butyl 4-[3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate is CN(C)C=CC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate?
The InChIKey is NWAKHTZENIYBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(2,3)20-14(19)17-10-6-12(7-11-17)13(18)8-9-16(4)5/h8-9,12H,6-7,10-11H2,1-5H3.
What are the key properties of tert-butyl 4-[3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate?
tert-butyl 4-[3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate is sourced from PubChem (CID 53410988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).