[4-(2-hydroxyethyl)piperazin-1-yl]-[4-(3-methoxypyrazin-2-yl)phenyl]methanone

C18H22N4O3 — CID 119059624

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-[4-(3-methoxypyrazin-2-yl)phenyl]methanone
SMILESCOc1nccnc1-c1ccc(C(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C18H22N4O3/c1-25-17-16(19-6-7-20-17)14-2-4-15(5-3-14)18(24)22-10-8-21(9-11-22)12-13-23/h2-7,23H,8-13H2,1H3
InChIKeyTYRUOOQGJCVDIU-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.90
Rot. Bonds5

About [4-(2-hydroxyethyl)piperazin-1-yl]-[4-(3-methoxypyrazin-2-yl)phenyl]methanone

[4-(2-hydroxyethyl)piperazin-1-yl]-[4-(3-methoxypyrazin-2-yl)phenyl]methanone (PubChem CID 119059624) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-[4-(3-methoxypyrazin-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-[4-(3-methoxypyrazin-2-yl)phenyl]methanone
PubChem CID119059624
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-[4-(3-methoxypyrazin-2-yl)phenyl]methanone
SMILESCOc1nccnc1-c1ccc(C(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C18H22N4O3/c1-25-17-16(19-6-7-20-17)14-2-4-15(5-3-14)18(24)22-10-8-21(9-11-22)12-13-23/h2-7,23H,8-13H2,1H3
InChIKeyTYRUOOQGJCVDIU-UHFFFAOYSA-N
XLogP0.90
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(2-hydroxyethyl)piperazin-1-yl]-[4-(3-methoxypyrazin-2-yl)phenyl]methanone with MolForge

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Related Compounds

[4-(2-hydroxyethyl)piperazin-1-yl]-[4-[3-(methylamino)pyrazin-2-yl]phenyl]methanone
CID 122568889
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978
4-(3-methoxypyrazin-2-yl)benzoic acid
CID 67257988
(4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 90104243
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride
CID 53312695
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 43415619
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 27846376
[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 121053608
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 43393803
[3-(3-methoxypyrazin-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 118782256
(2-bromo-4-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103754389
[4-(2-hydroxyethyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
CID 84581420

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-[4-(3-methoxypyrazin-2-yl)phenyl]methanone?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-[4-(3-methoxypyrazin-2-yl)phenyl]methanone (CID 119059624) is [4-(2-hydroxyethyl)piperazin-1-yl]-[4-(3-methoxypyrazin-2-yl)phenyl]methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-[4-(3-methoxypyrazin-2-yl)phenyl]methanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-[4-(3-methoxypyrazin-2-yl)phenyl]methanone is COc1nccnc1-c1ccc(C(=O)N2CCN(CCO)CC2)cc1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-[4-(3-methoxypyrazin-2-yl)phenyl]methanone?
The InChIKey is TYRUOOQGJCVDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-25-17-16(19-6-7-20-17)14-2-4-15(5-3-14)18(24)22-10-8-21(9-11-22)12-13-23/h2-7,23H,8-13H2,1H3.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-[4-(3-methoxypyrazin-2-yl)phenyl]methanone?
[4-(2-hydroxyethyl)piperazin-1-yl]-[4-(3-methoxypyrazin-2-yl)phenyl]methanone has a molecular weight of 342.40 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-[4-(3-methoxypyrazin-2-yl)phenyl]methanone is sourced from PubChem (CID 119059624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).