N-(2-methoxyethyl)-5-oxo-1-piperidin-4-ylpyrrolidine-2-carboxamide

C13H23N3O3 — CID 86820482

IUPACN-(2-methoxyethyl)-5-oxo-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESCOCCNC(=O)C1CCC(=O)N1C1CCNCC1
InChIInChI=1S/C13H23N3O3/c1-19-9-8-15-13(18)11-2-3-12(17)16(11)10-4-6-14-7-5-10/h10-11,14H,2-9H2,1H3,(H,15,18)
InChIKeyIPLMYUZXOMJOIK-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.51
Rot. Bonds5

About N-(2-methoxyethyl)-5-oxo-1-piperidin-4-ylpyrrolidine-2-carboxamide

N-(2-methoxyethyl)-5-oxo-1-piperidin-4-ylpyrrolidine-2-carboxamide (PubChem CID 86820482) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-oxo-1-piperidin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-oxo-1-piperidin-4-ylpyrrolidine-2-carboxamide
PubChem CID86820482
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-(2-methoxyethyl)-5-oxo-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESCOCCNC(=O)C1CCC(=O)N1C1CCNCC1
InChIInChI=1S/C13H23N3O3/c1-19-9-8-15-13(18)11-2-3-12(17)16(11)10-4-6-14-7-5-10/h10-11,14H,2-9H2,1H3,(H,15,18)
InChIKeyIPLMYUZXOMJOIK-UHFFFAOYSA-N
XLogP-0.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-oxo-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-oxo-1-piperidin-4-ylpyrrolidine-2-carboxamide (CID 86820482) is N-(2-methoxyethyl)-5-oxo-1-piperidin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-oxo-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-oxo-1-piperidin-4-ylpyrrolidine-2-carboxamide is COCCNC(=O)C1CCC(=O)N1C1CCNCC1.
What is the InChIKey of N-(2-methoxyethyl)-5-oxo-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is IPLMYUZXOMJOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-19-9-8-15-13(18)11-2-3-12(17)16(11)10-4-6-14-7-5-10/h10-11,14H,2-9H2,1H3,(H,15,18).
What are the key properties of N-(2-methoxyethyl)-5-oxo-1-piperidin-4-ylpyrrolidine-2-carboxamide?
N-(2-methoxyethyl)-5-oxo-1-piperidin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 269.34 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-oxo-1-piperidin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 86820482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).