prop-2-enyl 4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate

C17H27N3O4 — CID 108568564

IUPACprop-2-enyl 4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C17H27N3O4/c1-5-10-24-16(23)19-8-6-18(7-9-19)15(22)13-11-14(21)20(12-13)17(2,3)4/h5,13H,1,6-12H2,2-4H3
InChIKeyQBQJTQIJFPJBIG-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.10
Rot. Bonds3

About prop-2-enyl 4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate

prop-2-enyl 4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate (PubChem CID 108568564) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is prop-2-enyl 4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
PubChem CID108568564
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Nameprop-2-enyl 4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C17H27N3O4/c1-5-10-24-16(23)19-8-6-18(7-9-19)15(22)13-11-14(21)20(12-13)17(2,3)4/h5,13H,1,6-12H2,2-4H3
InChIKeyQBQJTQIJFPJBIG-UHFFFAOYSA-N
XLogP1.10
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate (CID 108568564) is prop-2-enyl 4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate is C=CCOC(=O)N1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1.
What is the InChIKey of prop-2-enyl 4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is QBQJTQIJFPJBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-5-10-24-16(23)19-8-6-18(7-9-19)15(22)13-11-14(21)20(12-13)17(2,3)4/h5,13H,1,6-12H2,2-4H3.
What are the key properties of prop-2-enyl 4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate?
prop-2-enyl 4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 108568564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).