prop-2-enyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate

C16H25N3O4 — CID 108568620

IUPACprop-2-enyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(C(=O)C2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C16H25N3O4/c1-4-9-23-16(22)18-7-5-17(6-8-18)15(21)13-10-14(20)19(11-13)12(2)3/h4,12-13H,1,5-11H2,2-3H3
InChIKeyVVMRIWVPVAQIPO-UHFFFAOYSA-N
MW323.39 g/mol
LogP0.71
Rot. Bonds4

About prop-2-enyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate

prop-2-enyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate (PubChem CID 108568620) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is prop-2-enyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
PubChem CID108568620
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Nameprop-2-enyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(C(=O)C2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C16H25N3O4/c1-4-9-23-16(22)18-7-5-17(6-8-18)15(21)13-10-14(20)19(11-13)12(2)3/h4,12-13H,1,5-11H2,2-3H3
InChIKeyVVMRIWVPVAQIPO-UHFFFAOYSA-N
XLogP0.71
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl (3R)-3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 58430359
Prop-2-enyl 3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 76783985
Prop-2-enyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate
CID 108560619
Prop-2-enyl 4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate
CID 108560691
prop-2-enyl N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]carbamate
CID 108564858
prop-2-enyl N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]carbamate
CID 108564929
Prop-2-enyl 4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 108568564
2-Methylpropyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 108568612
Butyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 108568618
prop-2-enyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate
CID 108572412
Ethyl 4-(1-butan-2-yl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 113182135

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate (CID 108568620) is prop-2-enyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate is C=CCOC(=O)N1CCN(C(=O)C2CC(=O)N(C(C)C)C2)CC1.
What is the InChIKey of prop-2-enyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is VVMRIWVPVAQIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-4-9-23-16(22)18-7-5-17(6-8-18)15(21)13-10-14(20)19(11-13)12(2)3/h4,12-13H,1,5-11H2,2-3H3.
What are the key properties of prop-2-enyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate?
prop-2-enyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 108568620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).