oxolan-2-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone

C17H26N4O3 — CID 87053021

IUPACoxolan-2-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
SMILESCCCOc1nccnc1NC1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C17H26N4O3/c1-2-11-24-16-15(18-7-8-19-16)20-13-5-9-21(10-6-13)17(22)14-4-3-12-23-14/h7-8,13-14H,2-6,9-12H2,1H3,(H,18,20)
InChIKeyJNCFXIYPTWNGKT-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.85
Rot. Bonds6

About oxolan-2-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone

oxolan-2-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone (PubChem CID 87053021) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is oxolan-2-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
PubChem CID87053021
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nameoxolan-2-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
SMILESCCCOc1nccnc1NC1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C17H26N4O3/c1-2-11-24-16-15(18-7-8-19-16)20-13-5-9-21(10-6-13)17(22)14-4-3-12-23-14/h7-8,13-14H,2-6,9-12H2,1H3,(H,18,20)
InChIKeyJNCFXIYPTWNGKT-UHFFFAOYSA-N
XLogP1.85
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone (CID 87053021) is oxolan-2-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone is CCCOc1nccnc1NC1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of oxolan-2-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone?
The InChIKey is JNCFXIYPTWNGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-2-11-24-16-15(18-7-8-19-16)20-13-5-9-21(10-6-13)17(22)14-4-3-12-23-14/h7-8,13-14H,2-6,9-12H2,1H3,(H,18,20).
What are the key properties of oxolan-2-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone?
oxolan-2-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 87053021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).