3-(ethylamino)-1-(1-ethylpiperidin-3-yl)pyrrolidin-2-one

C13H25N3O — CID 54972827

IUPAC3-(ethylamino)-1-(1-ethylpiperidin-3-yl)pyrrolidin-2-one
SMILESCCNC1CCN(C2CCCN(CC)C2)C1=O
InChIInChI=1S/C13H25N3O/c1-3-14-12-7-9-16(13(12)17)11-6-5-8-15(4-2)10-11/h11-12,14H,3-10H2,1-2H3
InChIKeyJJPRQPAQEHAEGV-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.68
Rot. Bonds4

About 3-(ethylamino)-1-(1-ethylpiperidin-3-yl)pyrrolidin-2-one

3-(ethylamino)-1-(1-ethylpiperidin-3-yl)pyrrolidin-2-one (PubChem CID 54972827) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(ethylamino)-1-(1-ethylpiperidin-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(1-ethylpiperidin-3-yl)pyrrolidin-2-one
PubChem CID54972827
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-(ethylamino)-1-(1-ethylpiperidin-3-yl)pyrrolidin-2-one
SMILESCCNC1CCN(C2CCCN(CC)C2)C1=O
InChIInChI=1S/C13H25N3O/c1-3-14-12-7-9-16(13(12)17)11-6-5-8-15(4-2)10-11/h11-12,14H,3-10H2,1-2H3
InChIKeyJJPRQPAQEHAEGV-UHFFFAOYSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(1-ethylpiperidin-3-yl)pyrrolidin-2-one?
The IUPAC name of 3-(ethylamino)-1-(1-ethylpiperidin-3-yl)pyrrolidin-2-one (CID 54972827) is 3-(ethylamino)-1-(1-ethylpiperidin-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-(1-ethylpiperidin-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3-(ethylamino)-1-(1-ethylpiperidin-3-yl)pyrrolidin-2-one is CCNC1CCN(C2CCCN(CC)C2)C1=O.
What is the InChIKey of 3-(ethylamino)-1-(1-ethylpiperidin-3-yl)pyrrolidin-2-one?
The InChIKey is JJPRQPAQEHAEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-14-12-7-9-16(13(12)17)11-6-5-8-15(4-2)10-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 3-(ethylamino)-1-(1-ethylpiperidin-3-yl)pyrrolidin-2-one?
3-(ethylamino)-1-(1-ethylpiperidin-3-yl)pyrrolidin-2-one has a molecular weight of 239.36 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(1-ethylpiperidin-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 54972827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).