1-(2-piperidin-4-ylethanimidoyl)pyrrolidin-2-one

C11H19N3O — CID 57157468

IUPAC1-(2-piperidin-4-ylethanimidoyl)pyrrolidin-2-one
SMILES[H]/N=C(/CC1CCNCC1)N1CCCC1=O
InChIInChI=1S/C11H19N3O/c12-10(14-7-1-2-11(14)15)8-9-3-5-13-6-4-9/h9,12-13H,1-8H2/b12-10-
InChIKeyWAEZIZJFAFPUJP-BENRWUELSA-N
MW209.29 g/mol
LogP0.98
Rot. Bonds2

About 1-(2-piperidin-4-ylethanimidoyl)pyrrolidin-2-one

1-(2-piperidin-4-ylethanimidoyl)pyrrolidin-2-one (PubChem CID 57157468) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2-piperidin-4-ylethanimidoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-piperidin-4-ylethanimidoyl)pyrrolidin-2-one
PubChem CID57157468
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(2-piperidin-4-ylethanimidoyl)pyrrolidin-2-one
SMILES[H]/N=C(/CC1CCNCC1)N1CCCC1=O
InChIInChI=1S/C11H19N3O/c12-10(14-7-1-2-11(14)15)8-9-3-5-13-6-4-9/h9,12-13H,1-8H2/b12-10-
InChIKeyWAEZIZJFAFPUJP-BENRWUELSA-N
XLogP0.98
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-4-ylethanimidoyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-piperidin-4-ylethanimidoyl)pyrrolidin-2-one (CID 57157468) is 1-(2-piperidin-4-ylethanimidoyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-piperidin-4-ylethanimidoyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-piperidin-4-ylethanimidoyl)pyrrolidin-2-one is [H]/N=C(/CC1CCNCC1)N1CCCC1=O.
What is the InChIKey of 1-(2-piperidin-4-ylethanimidoyl)pyrrolidin-2-one?
The InChIKey is WAEZIZJFAFPUJP-BENRWUELSA-N. The full InChI is InChI=1S/C11H19N3O/c12-10(14-7-1-2-11(14)15)8-9-3-5-13-6-4-9/h9,12-13H,1-8H2/b12-10-.
What are the key properties of 1-(2-piperidin-4-ylethanimidoyl)pyrrolidin-2-one?
1-(2-piperidin-4-ylethanimidoyl)pyrrolidin-2-one has a molecular weight of 209.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-4-ylethanimidoyl)pyrrolidin-2-one is sourced from PubChem (CID 57157468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).