2-(2-fluorophenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone

C18H21FN4O2 — CID 53185542

IUPAC2-(2-fluorophenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone
SMILESCOc1nccnc1NC1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C18H21FN4O2/c1-25-18-17(20-8-9-21-18)22-14-6-10-23(11-7-14)16(24)12-13-4-2-3-5-15(13)19/h2-5,8-9,14H,6-7,10-12H2,1H3,(H,20,22)
InChIKeySTOKVPMOMHVXTK-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.27
Rot. Bonds5

About 2-(2-fluorophenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone

2-(2-fluorophenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone (PubChem CID 53185542) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone
PubChem CID53185542
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-(2-fluorophenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone
SMILESCOc1nccnc1NC1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C18H21FN4O2/c1-25-18-17(20-8-9-21-18)22-14-6-10-23(11-7-14)16(24)12-13-4-2-3-5-15(13)19/h2-5,8-9,14H,6-7,10-12H2,1H3,(H,20,22)
InChIKeySTOKVPMOMHVXTK-UHFFFAOYSA-N
XLogP2.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone (CID 53185542) is 2-(2-fluorophenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone is COc1nccnc1NC1CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is STOKVPMOMHVXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-25-18-17(20-8-9-21-18)22-14-6-10-23(11-7-14)16(24)12-13-4-2-3-5-15(13)19/h2-5,8-9,14H,6-7,10-12H2,1H3,(H,20,22).
What are the key properties of 2-(2-fluorophenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 344.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 53185542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).