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

C17H29N3O4 — CID 108568612

IUPAC2-methylpropyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(C(=O)C2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C17H29N3O4/c1-12(2)11-24-17(23)19-7-5-18(6-8-19)16(22)14-9-15(21)20(10-14)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyBMNUUGLUNHGFMT-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.18
Rot. Bonds4

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

2-methylpropyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate (PubChem CID 108568612) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methylpropyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
PubChem CID108568612
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Name2-methylpropyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(C(=O)C2CC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C17H29N3O4/c1-12(2)11-24-17(23)19-7-5-18(6-8-19)16(22)14-9-15(21)20(10-14)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyBMNUUGLUNHGFMT-UHFFFAOYSA-N
XLogP1.18
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.18
H-Bond Donors ≤ 50
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)piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate (CID 108568612) is 2-methylpropyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate is CC(C)COC(=O)N1CCN(C(=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)piperazine-1-carboxylate?
The InChIKey is BMNUUGLUNHGFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-12(2)11-24-17(23)19-7-5-18(6-8-19)16(22)14-9-15(21)20(10-14)13(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-methylpropyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate?
2-methylpropyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 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)piperazine-1-carboxylate is sourced from PubChem (CID 108568612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).