1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C21H27N3O4 — CID 2959439

IUPAC1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCOCC1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C21H27N3O4/c25-19-13-15(14-24(19)16-5-1-2-6-16)20(26)22-18-8-4-3-7-17(18)21(27)23-9-11-28-12-10-23/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,22,26)
InChIKeyAFEACHZLEKZAGO-UHFFFAOYSA-N
MW385.46 g/mol
LogP1.89
Rot. Bonds4

About 1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 2959439) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID2959439
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCOCC1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C21H27N3O4/c25-19-13-15(14-24(19)16-5-1-2-6-16)20(26)22-18-8-4-3-7-17(18)21(27)23-9-11-28-12-10-23/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,22,26)
InChIKeyAFEACHZLEKZAGO-UHFFFAOYSA-N
XLogP1.89
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 2959439) is 1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AFEACHZLEKZAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c25-19-13-15(14-24(19)16-5-1-2-6-16)20(26)22-18-8-4-3-7-17(18)21(27)23-9-11-28-12-10-23/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,22,26).
What are the key properties of 1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2959439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).