[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone

C18H21N5O2 — CID 32518605

IUPAC[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCN(C(=O)c3nccnc3N)CC2)c1
InChIInChI=1S/C18H21N5O2/c1-12-9-13(2)11-14(10-12)17(24)22-5-7-23(8-6-22)18(25)15-16(19)21-4-3-20-15/h3-4,9-11H,5-8H2,1-2H3,(H2,19,21)
InChIKeyMOJSUIHXTIKVSK-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.27
Rot. Bonds2

About [4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone

[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone (PubChem CID 32518605) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is [4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
PubChem CID32518605
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCN(C(=O)c3nccnc3N)CC2)c1
InChIInChI=1S/C18H21N5O2/c1-12-9-13(2)11-14(10-12)17(24)22-5-7-23(8-6-22)18(25)15-16(19)21-4-3-20-15/h3-4,9-11H,5-8H2,1-2H3,(H2,19,21)
InChIKeyMOJSUIHXTIKVSK-UHFFFAOYSA-N
XLogP1.27
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone?
The IUPAC name of [4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone (CID 32518605) is [4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for [4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone?
The canonical SMILES for [4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)N2CCN(C(=O)c3nccnc3N)CC2)c1.
What is the InChIKey of [4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone?
The InChIKey is MOJSUIHXTIKVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-9-13(2)11-14(10-12)17(24)22-5-7-23(8-6-22)18(25)15-16(19)21-4-3-20-15/h3-4,9-11H,5-8H2,1-2H3,(H2,19,21).
What are the key properties of [4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone?
[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone has a molecular weight of 339.40 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 32518605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).