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

C13H17N3O2 — CID 20641711

IUPAC1-ethyl-4-(2-pyridin-4-ylethyl)piperazine-2,5-dione
SMILESCCN1CC(=O)N(CCc2ccncc2)CC1=O
InChIInChI=1S/C13H17N3O2/c1-2-15-9-13(18)16(10-12(15)17)8-5-11-3-6-14-7-4-11/h3-4,6-7H,2,5,8-10H2,1H3
InChIKeyDXFFUJXJAMOOFP-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.31
Rot. Bonds4

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

1-ethyl-4-(2-pyridin-4-ylethyl)piperazine-2,5-dione (PubChem CID 20641711) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-ethyl-4-(2-pyridin-4-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-4-(2-pyridin-4-ylethyl)piperazine-2,5-dione
PubChem CID20641711
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-ethyl-4-(2-pyridin-4-ylethyl)piperazine-2,5-dione
SMILESCCN1CC(=O)N(CCc2ccncc2)CC1=O
InChIInChI=1S/C13H17N3O2/c1-2-15-9-13(18)16(10-12(15)17)8-5-11-3-6-14-7-4-11/h3-4,6-7H,2,5,8-10H2,1H3
InChIKeyDXFFUJXJAMOOFP-UHFFFAOYSA-N
XLogP0.31
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one
CID 117013569
3,3-diethyl-1-(2-pyridin-4-ylethyl)-1,4-diazepane-2,5-dione
CID 64964114
1-(2-pyridin-4-ylethyl)piperidine-2,6-dione
CID 86299954
3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64964160
1-ethylaziridin-2-one;3-methylpyridine
CID 161215351
6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64964210
N,N-diethyl-3-oxo-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72918249
7-(2-pyridin-4-ylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599586
8-(2-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62740660
2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile
CID 116837901
3-methyl-1-(2-pyridin-4-ylethyl)-1,4-diazepan-2-one
CID 63258689
3-ethyl-1-(2-pyridin-4-ylethyl)piperidin-4-one
CID 114508732

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-pyridin-4-ylethyl)piperazine-2,5-dione?
The IUPAC name of 1-ethyl-4-(2-pyridin-4-ylethyl)piperazine-2,5-dione (CID 20641711) is 1-ethyl-4-(2-pyridin-4-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 1-ethyl-4-(2-pyridin-4-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 1-ethyl-4-(2-pyridin-4-ylethyl)piperazine-2,5-dione is CCN1CC(=O)N(CCc2ccncc2)CC1=O.
What is the InChIKey of 1-ethyl-4-(2-pyridin-4-ylethyl)piperazine-2,5-dione?
The InChIKey is DXFFUJXJAMOOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-15-9-13(18)16(10-12(15)17)8-5-11-3-6-14-7-4-11/h3-4,6-7H,2,5,8-10H2,1H3.
What are the key properties of 1-ethyl-4-(2-pyridin-4-ylethyl)piperazine-2,5-dione?
1-ethyl-4-(2-pyridin-4-ylethyl)piperazine-2,5-dione has a molecular weight of 247.30 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-pyridin-4-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 20641711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).