[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

C15H23N5O — CID 61177632

IUPAC[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCc1cnc(C)c(N2CCCC2C(=O)N2CCNCC2)n1
InChIInChI=1S/C15H23N5O/c1-11-10-17-12(2)14(18-11)20-7-3-4-13(20)15(21)19-8-5-16-6-9-19/h10,13,16H,3-9H2,1-2H3
InChIKeyKUKWNAMFUODZQM-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.49
Rot. Bonds2

About [1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 61177632) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is [1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID61177632
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCc1cnc(C)c(N2CCCC2C(=O)N2CCNCC2)n1
InChIInChI=1S/C15H23N5O/c1-11-10-17-12(2)14(18-11)20-7-3-4-13(20)15(21)19-8-5-16-6-9-19/h10,13,16H,3-9H2,1-2H3
InChIKeyKUKWNAMFUODZQM-UHFFFAOYSA-N
XLogP0.49
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (CID 61177632) is [1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is Cc1cnc(C)c(N2CCCC2C(=O)N2CCNCC2)n1.
What is the InChIKey of [1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is KUKWNAMFUODZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11-10-17-12(2)14(18-11)20-7-3-4-13(20)15(21)19-8-5-16-6-9-19/h10,13,16H,3-9H2,1-2H3.
What are the key properties of [1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 289.38 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 61177632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).