1-[4-[5-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone

C16H24N4O2 — CID 95825658

IUPAC1-[4-[5-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cnc(NC3CCOCC3)cn2)CC1
InChIInChI=1S/C16H24N4O2/c1-12(21)20-6-2-13(3-7-20)15-10-18-16(11-17-15)19-14-4-8-22-9-5-14/h10-11,13-14H,2-9H2,1H3,(H,18,19)
InChIKeyPXXAOJLWRDAGCF-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.79
Rot. Bonds3

About 1-[4-[5-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone

1-[4-[5-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95825658) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[4-[5-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95825658
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[4-[5-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cnc(NC3CCOCC3)cn2)CC1
InChIInChI=1S/C16H24N4O2/c1-12(21)20-6-2-13(3-7-20)15-10-18-16(11-17-15)19-14-4-8-22-9-5-14/h10-11,13-14H,2-9H2,1H3,(H,18,19)
InChIKeyPXXAOJLWRDAGCF-UHFFFAOYSA-N
XLogP1.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95825658) is 1-[4-[5-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cnc(NC3CCOCC3)cn2)CC1.
What is the InChIKey of 1-[4-[5-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is PXXAOJLWRDAGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12(21)20-6-2-13(3-7-20)15-10-18-16(11-17-15)19-14-4-8-22-9-5-14/h10-11,13-14H,2-9H2,1H3,(H,18,19).
What are the key properties of 1-[4-[5-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[4-[5-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 304.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95825658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).