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

C15H22N4O3 — CID 53185556

IUPAC[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCOc1nccnc1NC1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C15H22N4O3/c1-21-14-13(16-6-7-17-14)18-11-4-8-19(9-5-11)15(20)12-3-2-10-22-12/h6-7,11-12H,2-5,8-10H2,1H3,(H,16,18)
InChIKeyZTRLOWZOPIXZKK-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.07
Rot. Bonds4

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

[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 53185556) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID53185556
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCOc1nccnc1NC1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C15H22N4O3/c1-21-14-13(16-6-7-17-14)18-11-4-8-19(9-5-11)15(20)12-3-2-10-22-12/h6-7,11-12H,2-5,8-10H2,1H3,(H,16,18)
InChIKeyZTRLOWZOPIXZKK-UHFFFAOYSA-N
XLogP1.07
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone (CID 53185556) is [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone is COc1nccnc1NC1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is ZTRLOWZOPIXZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-21-14-13(16-6-7-17-14)18-11-4-8-19(9-5-11)15(20)12-3-2-10-22-12/h6-7,11-12H,2-5,8-10H2,1H3,(H,16,18).
What are the key properties of [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone?
[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 306.37 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 53185556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).