2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide

C15H23Cl2N3O3 — CID 108564919

IUPAC2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide
SMILESCC(C)N1CC(C(=O)N2CCC(NC(=O)C(Cl)Cl)CC2)CC1=O
InChIInChI=1S/C15H23Cl2N3O3/c1-9(2)20-8-10(7-12(20)21)15(23)19-5-3-11(4-6-19)18-14(22)13(16)17/h9-11,13H,3-8H2,1-2H3,(H,18,22)
InChIKeySQXILJXHBUEMCJ-UHFFFAOYSA-N
MW364.27 g/mol
LogP1.15
Rot. Bonds4

About 2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide

2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide (PubChem CID 108564919) has the molecular formula C15H23Cl2N3O3 and a molecular weight of 364.27 g/mol. Its IUPAC name is 2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide
PubChem CID108564919
Molecular FormulaC15H23Cl2N3O3
Molecular Weight364.27 g/mol
Exact Mass363.11
IUPAC Name2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide
SMILESCC(C)N1CC(C(=O)N2CCC(NC(=O)C(Cl)Cl)CC2)CC1=O
InChIInChI=1S/C15H23Cl2N3O3/c1-9(2)20-8-10(7-12(20)21)15(23)19-5-3-11(4-6-19)18-14(22)13(16)17/h9-11,13H,3-8H2,1-2H3,(H,18,22)
InChIKeySQXILJXHBUEMCJ-UHFFFAOYSA-N
XLogP1.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide (CID 108564919) is 2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide is CC(C)N1CC(C(=O)N2CCC(NC(=O)C(Cl)Cl)CC2)CC1=O.
What is the InChIKey of 2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is SQXILJXHBUEMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3O3/c1-9(2)20-8-10(7-12(20)21)15(23)19-5-3-11(4-6-19)18-14(22)13(16)17/h9-11,13H,3-8H2,1-2H3,(H,18,22).
What are the key properties of 2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide?
2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 364.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108564919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).