ethyl 4-(5-oxo-1-propan-2-ylpyrrolidine-2-carbonyl)piperazine-1-carboxylate

C15H25N3O4 — CID 3240412

IUPACethyl 4-(5-oxo-1-propan-2-ylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCC(=O)N2C(C)C)CC1
InChIInChI=1S/C15H25N3O4/c1-4-22-15(21)17-9-7-16(8-10-17)14(20)12-5-6-13(19)18(12)11(2)3/h11-12H,4-10H2,1-3H3
InChIKeySKOJIRMOLGBWTP-UHFFFAOYSA-N
MW311.38 g/mol
LogP0.69
Rot. Bonds3

About ethyl 4-(5-oxo-1-propan-2-ylpyrrolidine-2-carbonyl)piperazine-1-carboxylate

ethyl 4-(5-oxo-1-propan-2-ylpyrrolidine-2-carbonyl)piperazine-1-carboxylate (PubChem CID 3240412) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl 4-(5-oxo-1-propan-2-ylpyrrolidine-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-oxo-1-propan-2-ylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
PubChem CID3240412
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nameethyl 4-(5-oxo-1-propan-2-ylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCC(=O)N2C(C)C)CC1
InChIInChI=1S/C15H25N3O4/c1-4-22-15(21)17-9-7-16(8-10-17)14(20)12-5-6-13(19)18(12)11(2)3/h11-12H,4-10H2,1-3H3
InChIKeySKOJIRMOLGBWTP-UHFFFAOYSA-N
XLogP0.69
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-oxo-1-propan-2-ylpyrrolidine-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(5-oxo-1-propan-2-ylpyrrolidine-2-carbonyl)piperazine-1-carboxylate (CID 3240412) is ethyl 4-(5-oxo-1-propan-2-ylpyrrolidine-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-oxo-1-propan-2-ylpyrrolidine-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(5-oxo-1-propan-2-ylpyrrolidine-2-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CCC(=O)N2C(C)C)CC1.
What is the InChIKey of ethyl 4-(5-oxo-1-propan-2-ylpyrrolidine-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is SKOJIRMOLGBWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-4-22-15(21)17-9-7-16(8-10-17)14(20)12-5-6-13(19)18(12)11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of ethyl 4-(5-oxo-1-propan-2-ylpyrrolidine-2-carbonyl)piperazine-1-carboxylate?
ethyl 4-(5-oxo-1-propan-2-ylpyrrolidine-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-oxo-1-propan-2-ylpyrrolidine-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 3240412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).