tert-butyl N-(3-prop-2-enoxypiperidin-4-yl)carbamate;ethyl formate

C16H30N2O5 — CID 175253344

IUPACtert-butyl N-(3-prop-2-enoxypiperidin-4-yl)carbamate;ethyl formate
SMILESC=CCOC1CNCCC1NC(=O)OC(C)(C)C.CCOC=O
InChIInChI=1S/C13H24N2O3.C3H6O2/c1-5-8-17-11-9-14-7-6-10(11)15-12(16)18-13(2,3)4;1-2-5-3-4/h5,10-11,14H,1,6-9H2,2-4H3,(H,15,16);3H,2H2,1H3
InChIKeyWTZXKRNVLWHQEV-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.62
Rot. Bonds6

About tert-butyl N-(3-prop-2-enoxypiperidin-4-yl)carbamate;ethyl formate

tert-butyl N-(3-prop-2-enoxypiperidin-4-yl)carbamate;ethyl formate (PubChem CID 175253344) has the molecular formula C16H30N2O5 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl N-(3-prop-2-enoxypiperidin-4-yl)carbamate;ethyl formate.

Molecular Properties

Compound Nametert-butyl N-(3-prop-2-enoxypiperidin-4-yl)carbamate;ethyl formate
PubChem CID175253344
Molecular FormulaC16H30N2O5
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Nametert-butyl N-(3-prop-2-enoxypiperidin-4-yl)carbamate;ethyl formate
SMILESC=CCOC1CNCCC1NC(=O)OC(C)(C)C.CCOC=O
InChIInChI=1S/C13H24N2O3.C3H6O2/c1-5-8-17-11-9-14-7-6-10(11)15-12(16)18-13(2,3)4;1-2-5-3-4/h5,10-11,14H,1,6-9H2,2-4H3,(H,15,16);3H,2H2,1H3
InChIKeyWTZXKRNVLWHQEV-UHFFFAOYSA-N
XLogP1.62
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-(3-prop-2-enoxypiperidin-4-yl)carbamate;ethyl formate 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 N-(3-prop-2-enoxypiperidin-4-yl)carbamate;ethyl formate?
The IUPAC name of tert-butyl N-(3-prop-2-enoxypiperidin-4-yl)carbamate;ethyl formate (CID 175253344) is tert-butyl N-(3-prop-2-enoxypiperidin-4-yl)carbamate;ethyl formate.
What is the SMILES notation for tert-butyl N-(3-prop-2-enoxypiperidin-4-yl)carbamate;ethyl formate?
The canonical SMILES for tert-butyl N-(3-prop-2-enoxypiperidin-4-yl)carbamate;ethyl formate is C=CCOC1CNCCC1NC(=O)OC(C)(C)C.CCOC=O.
What is the InChIKey of tert-butyl N-(3-prop-2-enoxypiperidin-4-yl)carbamate;ethyl formate?
The InChIKey is WTZXKRNVLWHQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3.C3H6O2/c1-5-8-17-11-9-14-7-6-10(11)15-12(16)18-13(2,3)4;1-2-5-3-4/h5,10-11,14H,1,6-9H2,2-4H3,(H,15,16);3H,2H2,1H3.
What are the key properties of tert-butyl N-(3-prop-2-enoxypiperidin-4-yl)carbamate;ethyl formate?
tert-butyl N-(3-prop-2-enoxypiperidin-4-yl)carbamate;ethyl formate has a molecular weight of 330.43 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-prop-2-enoxypiperidin-4-yl)carbamate;ethyl formate is sourced from PubChem (CID 175253344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).