1-(1-ethylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide

C12H21N3O2 — CID 69419093

IUPAC1-(1-ethylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide
SMILESCCN1CCC(N2CCC(C(N)=O)C2=O)CC1
InChIInChI=1S/C12H21N3O2/c1-2-14-6-3-9(4-7-14)15-8-5-10(11(13)16)12(15)17/h9-10H,2-8H2,1H3,(H2,13,16)
InChIKeyFBMUBEAIXASPPU-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.20
Rot. Bonds3

About 1-(1-ethylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide

1-(1-ethylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 69419093) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide
PubChem CID69419093
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-(1-ethylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide
SMILESCCN1CCC(N2CCC(C(N)=O)C2=O)CC1
InChIInChI=1S/C12H21N3O2/c1-2-14-6-3-9(4-7-14)15-8-5-10(11(13)16)12(15)17/h9-10H,2-8H2,1H3,(H2,13,16)
InChIKeyFBMUBEAIXASPPU-UHFFFAOYSA-N
XLogP-0.20
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide (CID 69419093) is 1-(1-ethylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide is CCN1CCC(N2CCC(C(N)=O)C2=O)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is FBMUBEAIXASPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-14-6-3-9(4-7-14)15-8-5-10(11(13)16)12(15)17/h9-10H,2-8H2,1H3,(H2,13,16).
What are the key properties of 1-(1-ethylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide?
1-(1-ethylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 69419093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).