1-methyl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione

C14H17N5O3 — CID 110743774

IUPAC1-methyl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2CCN(C(=O)c3cnccn3)CC2)C1=O
InChIInChI=1S/C14H17N5O3/c1-17-12(20)8-11(14(17)22)18-4-6-19(7-5-18)13(21)10-9-15-2-3-16-10/h2-3,9,11H,4-8H2,1H3
InChIKeyPCHNQOQRWLSQME-UHFFFAOYSA-N
MW303.32 g/mol
LogP-1.01
Rot. Bonds2

About 1-methyl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione

1-methyl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 110743774) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-methyl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID110743774
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name1-methyl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2CCN(C(=O)c3cnccn3)CC2)C1=O
InChIInChI=1S/C14H17N5O3/c1-17-12(20)8-11(14(17)22)18-4-6-19(7-5-18)13(21)10-9-15-2-3-16-10/h2-3,9,11H,4-8H2,1H3
InChIKeyPCHNQOQRWLSQME-UHFFFAOYSA-N
XLogP-1.01
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 66203494
1-[4-[4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 110816085
2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108569993
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
(4S)-1-methyl-8-(pyrazine-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470051
[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 121200756
[4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 165419586
(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone
CID 110743459
1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 110723652
[4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110814149
2,2-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 110821253
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 110743774) is 1-methyl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione is CN1C(=O)CC(N2CCN(C(=O)c3cnccn3)CC2)C1=O.
What is the InChIKey of 1-methyl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is PCHNQOQRWLSQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-17-12(20)8-11(14(17)22)18-4-6-19(7-5-18)13(21)10-9-15-2-3-16-10/h2-3,9,11H,4-8H2,1H3.
What are the key properties of 1-methyl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione?
1-methyl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 303.32 g/mol, XLogP of -1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 110743774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).