prop-2-enyl N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]carbamate

C18H29N3O4 — CID 108564858

IUPACprop-2-enyl N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]carbamate
SMILESC=CCOC(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C18H29N3O4/c1-5-10-25-17(24)19-14-6-8-20(9-7-14)16(23)13-11-15(22)21(12-13)18(2,3)4/h5,13-14H,1,6-12H2,2-4H3,(H,19,24)
InChIKeyZIOLFPDGFWMTNT-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.54
Rot. Bonds4

About prop-2-enyl N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]carbamate

prop-2-enyl N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]carbamate (PubChem CID 108564858) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is prop-2-enyl N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]carbamate
PubChem CID108564858
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Nameprop-2-enyl N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]carbamate
SMILESC=CCOC(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C18H29N3O4/c1-5-10-25-17(24)19-14-6-8-20(9-7-14)16(23)13-11-15(22)21(12-13)18(2,3)4/h5,13-14H,1,6-12H2,2-4H3,(H,19,24)
InChIKeyZIOLFPDGFWMTNT-UHFFFAOYSA-N
XLogP1.54
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze prop-2-enyl N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]carbamate 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 prop-2-enyl N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]carbamate?
The IUPAC name of prop-2-enyl N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]carbamate (CID 108564858) is prop-2-enyl N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]carbamate is C=CCOC(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1.
What is the InChIKey of prop-2-enyl N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]carbamate?
The InChIKey is ZIOLFPDGFWMTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-5-10-25-17(24)19-14-6-8-20(9-7-14)16(23)13-11-15(22)21(12-13)18(2,3)4/h5,13-14H,1,6-12H2,2-4H3,(H,19,24).
What are the key properties of prop-2-enyl N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]carbamate?
prop-2-enyl N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]carbamate has a molecular weight of 351.45 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 108564858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).