6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione

C13H17N3O2 — CID 64964210

IUPAC6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1CCc1ccncc1
InChIInChI=1S/C13H17N3O2/c1-2-11-13(18)15-9-12(17)16(11)8-5-10-3-6-14-7-4-10/h3-4,6-7,11H,2,5,8-9H2,1H3,(H,15,18)
InChIKeyRKOGKRGRENJUHI-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.36
Rot. Bonds4

About 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione

6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione (PubChem CID 64964210) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
PubChem CID64964210
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1CCc1ccncc1
InChIInChI=1S/C13H17N3O2/c1-2-11-13(18)15-9-12(17)16(11)8-5-10-3-6-14-7-4-10/h3-4,6-7,11H,2,5,8-9H2,1H3,(H,15,18)
InChIKeyRKOGKRGRENJUHI-UHFFFAOYSA-N
XLogP0.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Amrinone
CID 3698
Nicaraven
CID 71234
Kdoam-25
CID 91810435
N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
CID 3113972
1-Cyclohexyl-3-(pyridin-4-ylmethyl)urea
CID 888059
Ari-3099
CID 71655266
N-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide
CID 118450420
(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
CID 11346439
N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 871256
N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 1247370
Ethanediamide, N,N'-bis(4-pyridinylmethyl)-
CID 3121386

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione (CID 64964210) is 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione is CCC1C(=O)NCC(=O)N1CCc1ccncc1.
What is the InChIKey of 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione?
The InChIKey is RKOGKRGRENJUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-11-13(18)15-9-12(17)16(11)8-5-10-3-6-14-7-4-10/h3-4,6-7,11H,2,5,8-9H2,1H3,(H,15,18).
What are the key properties of 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione?
6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione has a molecular weight of 247.30 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64964210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).