3-amino-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one

C11H21N3O — CID 69419094

IUPAC3-amino-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one
SMILESCCN1CCC(N2CCC(N)C2=O)CC1
InChIInChI=1S/C11H21N3O/c1-2-13-6-3-9(4-7-13)14-8-5-10(12)11(14)15/h9-10H,2-8,12H2,1H3
InChIKeySOORLMPXRGXPAW-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.03
Rot. Bonds2

About 3-amino-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one

3-amino-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one (PubChem CID 69419094) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-amino-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one
PubChem CID69419094
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-amino-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one
SMILESCCN1CCC(N2CCC(N)C2=O)CC1
InChIInChI=1S/C11H21N3O/c1-2-13-6-3-9(4-7-13)14-8-5-10(12)11(14)15/h9-10H,2-8,12H2,1H3
InChIKeySOORLMPXRGXPAW-UHFFFAOYSA-N
XLogP0.03
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 3-amino-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one (CID 69419094) is 3-amino-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one is CCN1CCC(N2CCC(N)C2=O)CC1.
What is the InChIKey of 3-amino-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one?
The InChIKey is SOORLMPXRGXPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-13-6-3-9(4-7-13)14-8-5-10(12)11(14)15/h9-10H,2-8,12H2,1H3.
What are the key properties of 3-amino-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one?
3-amino-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one has a molecular weight of 211.31 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 69419094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).