[3-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone

C22H22N4O3 — CID 135900234

IUPAC[3-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
SMILESCOc1cc(-c2cncc(-c3cccc(C(=O)N4CCNCC4)c3)n2)ccc1O
InChIInChI=1S/C22H22N4O3/c1-29-21-12-16(5-6-20(21)27)19-14-24-13-18(25-19)15-3-2-4-17(11-15)22(28)26-9-7-23-8-10-26/h2-6,11-14,23,27H,7-10H2,1H3
InChIKeyMQTHPKBMXPECLC-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.57
Rot. Bonds4

About [3-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone

[3-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone (PubChem CID 135900234) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is [3-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[3-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
PubChem CID135900234
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name[3-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
SMILESCOc1cc(-c2cncc(-c3cccc(C(=O)N4CCNCC4)c3)n2)ccc1O
InChIInChI=1S/C22H22N4O3/c1-29-21-12-16(5-6-20(21)27)19-14-24-13-18(25-19)15-3-2-4-17(11-15)22(28)26-9-7-23-8-10-26/h2-6,11-14,23,27H,7-10H2,1H3
InChIKeyMQTHPKBMXPECLC-UHFFFAOYSA-N
XLogP2.57
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone
CID 143900231
azocan-1-yl-[4-(4-hydroxy-3-methoxyphenyl)phenyl]methanone
CID 118777173
[3-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone
CID 169420226
[5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620498
[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95820010
piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone
CID 39371882
(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
CID 39260978
1,4-diazepan-1-yl-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone
CID 119416604
(3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403756
[2-[4-(4-hydroxy-3-methoxyphenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-piperazin-1-ylmethanone
CID 118278079
2-methoxy-4-piperazin-1-ylphenol
CID 24820540

Frequently Asked Questions

What is the IUPAC name of [3-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [3-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone (CID 135900234) is [3-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [3-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [3-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone is COc1cc(-c2cncc(-c3cccc(C(=O)N4CCNCC4)c3)n2)ccc1O.
What is the InChIKey of [3-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
The InChIKey is MQTHPKBMXPECLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-29-21-12-16(5-6-20(21)27)19-14-24-13-18(25-19)15-3-2-4-17(11-15)22(28)26-9-7-23-8-10-26/h2-6,11-14,23,27H,7-10H2,1H3.
What are the key properties of [3-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
[3-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone has a molecular weight of 390.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 135900234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).