1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione

C15H19N5O4 — CID 90636347

IUPAC1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione
SMILESCCN1CCN(C(=O)N2CCC(Oc3cnccn3)C2)C(=O)C1=O
InChIInChI=1S/C15H19N5O4/c1-2-18-7-8-20(14(22)13(18)21)15(23)19-6-3-11(10-19)24-12-9-16-4-5-17-12/h4-5,9,11H,2-3,6-8,10H2,1H3
InChIKeyNFORLCXVLZHAOR-UHFFFAOYSA-N
MW333.35 g/mol
LogP-0.26
Rot. Bonds3

About 1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione

1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione (PubChem CID 90636347) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione.

Molecular Properties

Compound Name1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione
PubChem CID90636347
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione
SMILESCCN1CCN(C(=O)N2CCC(Oc3cnccn3)C2)C(=O)C1=O
InChIInChI=1S/C15H19N5O4/c1-2-18-7-8-20(14(22)13(18)21)15(23)19-6-3-11(10-19)24-12-9-16-4-5-17-12/h4-5,9,11H,2-3,6-8,10H2,1H3
InChIKeyNFORLCXVLZHAOR-UHFFFAOYSA-N
XLogP-0.26
TPSA95.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-4-ethylpiperazine-2,3-dione
CID 129355975
1-ethyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperazine-2,3-dione
CID 122261053
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione
CID 122243521
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
3-methyl-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]but-2-en-1-one
CID 100753672
1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one
CID 100647916
ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate
CID 90636072
(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636090
(4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636070
2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
CID 90558966
(3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626657
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753272

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione?
The IUPAC name of 1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione (CID 90636347) is 1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione.
What is the SMILES notation for 1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione?
The canonical SMILES for 1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione is CCN1CCN(C(=O)N2CCC(Oc3cnccn3)C2)C(=O)C1=O.
What is the InChIKey of 1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione?
The InChIKey is NFORLCXVLZHAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-2-18-7-8-20(14(22)13(18)21)15(23)19-6-3-11(10-19)24-12-9-16-4-5-17-12/h4-5,9,11H,2-3,6-8,10H2,1H3.
What are the key properties of 1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione?
1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione has a molecular weight of 333.35 g/mol, XLogP of -0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione is sourced from PubChem (CID 90636347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).