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

C19H24N4O3 — CID 53185533

IUPAC2-(4-methoxyphenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(Nc3nccnc3OC)CC2)cc1
InChIInChI=1S/C19H24N4O3/c1-25-16-5-3-14(4-6-16)13-17(24)23-11-7-15(8-12-23)22-18-19(26-2)21-10-9-20-18/h3-6,9-10,15H,7-8,11-13H2,1-2H3,(H,20,22)
InChIKeyKLRXNTJTTSZGDW-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.14
Rot. Bonds6

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

2-(4-methoxyphenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone (PubChem CID 53185533) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone
PubChem CID53185533
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-(4-methoxyphenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(Nc3nccnc3OC)CC2)cc1
InChIInChI=1S/C19H24N4O3/c1-25-16-5-3-14(4-6-16)13-17(24)23-11-7-15(8-12-23)22-18-19(26-2)21-10-9-20-18/h3-6,9-10,15H,7-8,11-13H2,1-2H3,(H,20,22)
InChIKeyKLRXNTJTTSZGDW-UHFFFAOYSA-N
XLogP2.14
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone (CID 53185533) is 2-(4-methoxyphenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCC(Nc3nccnc3OC)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is KLRXNTJTTSZGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-25-16-5-3-14(4-6-16)13-17(24)23-11-7-15(8-12-23)22-18-19(26-2)21-10-9-20-18/h3-6,9-10,15H,7-8,11-13H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-methoxyphenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 356.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 53185533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).