[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone

C17H22N6O2 — CID 87053016

IUPAC[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCCCOc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C17H22N6O2/c1-2-11-25-16-15(20-7-8-21-16)22-13-3-9-23(10-4-13)17(24)14-12-18-5-6-19-14/h5-8,12-13H,2-4,9-11H2,1H3,(H,20,22)
InChIKeyDUPYWUAJMKNVBW-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.77
Rot. Bonds6

About [4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone

[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 87053016) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is [4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID87053016
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCCCOc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C17H22N6O2/c1-2-11-25-16-15(20-7-8-21-16)22-13-3-9-23(10-4-13)17(24)14-12-18-5-6-19-14/h5-8,12-13H,2-4,9-11H2,1H3,(H,20,22)
InChIKeyDUPYWUAJMKNVBW-UHFFFAOYSA-N
XLogP1.77
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 87053016) is [4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone is CCCOc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of [4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is DUPYWUAJMKNVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-2-11-25-16-15(20-7-8-21-16)22-13-3-9-23(10-4-13)17(24)14-12-18-5-6-19-14/h5-8,12-13H,2-4,9-11H2,1H3,(H,20,22).
What are the key properties of [4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 342.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 87053016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).