1-[4-[[5-(pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one

C17H22N6O — CID 95823803

IUPAC1-[4-[[5-(pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Cc2cnc(Nc3cnccn3)cn2)CC1
InChIInChI=1S/C17H22N6O/c1-2-17(24)23-7-3-13(4-8-23)9-14-10-21-16(12-20-14)22-15-11-18-5-6-19-15/h5-6,10-13H,2-4,7-9H2,1H3,(H,19,21,22)
InChIKeyPYNWGLFOQSVRRA-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.20
Rot. Bonds5

About 1-[4-[[5-(pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one

1-[4-[[5-(pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one (PubChem CID 95823803) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[4-[[5-(pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[5-(pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
PubChem CID95823803
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name1-[4-[[5-(pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Cc2cnc(Nc3cnccn3)cn2)CC1
InChIInChI=1S/C17H22N6O/c1-2-17(24)23-7-3-13(4-8-23)9-14-10-21-16(12-20-14)22-15-11-18-5-6-19-15/h5-6,10-13H,2-4,7-9H2,1H3,(H,19,21,22)
InChIKeyPYNWGLFOQSVRRA-UHFFFAOYSA-N
XLogP2.20
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[[5-(pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one (CID 95823803) is 1-[4-[[5-(pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[[5-(pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[[5-(pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(Cc2cnc(Nc3cnccn3)cn2)CC1.
What is the InChIKey of 1-[4-[[5-(pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is PYNWGLFOQSVRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-2-17(24)23-7-3-13(4-8-23)9-14-10-21-16(12-20-14)22-15-11-18-5-6-19-15/h5-6,10-13H,2-4,7-9H2,1H3,(H,19,21,22).
What are the key properties of 1-[4-[[5-(pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one?
1-[4-[[5-(pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 326.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95823803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).