2-methylpropyl 4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate

C18H31N3O4 — CID 108560680

IUPAC2-methylpropyl 4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NC(=O)C2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C18H31N3O4/c1-12(2)11-25-18(24)20-7-5-15(6-8-20)19-17(23)14-9-16(22)21(10-14)13(3)4/h12-15H,5-11H2,1-4H3,(H,19,23)
InChIKeyYQGVLELYIVUSCT-UHFFFAOYSA-N
MW353.46 g/mol
LogP1.62
Rot. Bonds5

About 2-methylpropyl 4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate

2-methylpropyl 4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 108560680) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-methylpropyl 4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate
PubChem CID108560680
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name2-methylpropyl 4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NC(=O)C2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C18H31N3O4/c1-12(2)11-25-18(24)20-7-5-15(6-8-20)19-17(23)14-9-16(22)21(10-14)13(3)4/h12-15H,5-11H2,1-4H3,(H,19,23)
InChIKeyYQGVLELYIVUSCT-UHFFFAOYSA-N
XLogP1.62
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate (CID 108560680) is 2-methylpropyl 4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(NC(=O)C2CC(=O)N(C(C)C)C2)CC1.
What is the InChIKey of 2-methylpropyl 4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is YQGVLELYIVUSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-12(2)11-25-18(24)20-7-5-15(6-8-20)19-17(23)14-9-16(22)21(10-14)13(3)4/h12-15H,5-11H2,1-4H3,(H,19,23).
What are the key properties of 2-methylpropyl 4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate?
2-methylpropyl 4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 353.46 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 108560680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).