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

C18H23N5O2 — CID 122568889

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-[4-[3-(methylamino)pyrazin-2-yl]phenyl]methanone
SMILESCNc1nccnc1-c1ccc(C(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C18H23N5O2/c1-19-17-16(20-6-7-21-17)14-2-4-15(5-3-14)18(25)23-10-8-22(9-11-23)12-13-24/h2-7,24H,8-13H2,1H3,(H,19,21)
InChIKeyIWQQWANGEFFHOG-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.94
Rot. Bonds5

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

[4-(2-hydroxyethyl)piperazin-1-yl]-[4-[3-(methylamino)pyrazin-2-yl]phenyl]methanone (PubChem CID 122568889) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-[4-[3-(methylamino)pyrazin-2-yl]phenyl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-[4-[3-(methylamino)pyrazin-2-yl]phenyl]methanone
PubChem CID122568889
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-[4-[3-(methylamino)pyrazin-2-yl]phenyl]methanone
SMILESCNc1nccnc1-c1ccc(C(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C18H23N5O2/c1-19-17-16(20-6-7-21-17)14-2-4-15(5-3-14)18(25)23-10-8-22(9-11-23)12-13-24/h2-7,24H,8-13H2,1H3,(H,19,21)
InChIKeyIWQQWANGEFFHOG-UHFFFAOYSA-N
XLogP0.94
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

[4-(2-hydroxyethyl)piperazin-1-yl]-[4-(3-methoxypyrazin-2-yl)phenyl]methanone
CID 119059624
[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-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 121053608
[3-[3-(methylamino)pyrazin-2-yl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 122555826
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 43393803
(2-bromo-4-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103754389
[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 43390847
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 63308450
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone
CID 62890118

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-[4-[3-(methylamino)pyrazin-2-yl]phenyl]methanone?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-[4-[3-(methylamino)pyrazin-2-yl]phenyl]methanone (CID 122568889) is [4-(2-hydroxyethyl)piperazin-1-yl]-[4-[3-(methylamino)pyrazin-2-yl]phenyl]methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-[4-[3-(methylamino)pyrazin-2-yl]phenyl]methanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-[4-[3-(methylamino)pyrazin-2-yl]phenyl]methanone is CNc1nccnc1-c1ccc(C(=O)N2CCN(CCO)CC2)cc1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-[4-[3-(methylamino)pyrazin-2-yl]phenyl]methanone?
The InChIKey is IWQQWANGEFFHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-19-17-16(20-6-7-21-17)14-2-4-15(5-3-14)18(25)23-10-8-22(9-11-23)12-13-24/h2-7,24H,8-13H2,1H3,(H,19,21).
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-[4-[3-(methylamino)pyrazin-2-yl]phenyl]methanone?
[4-(2-hydroxyethyl)piperazin-1-yl]-[4-[3-(methylamino)pyrazin-2-yl]phenyl]methanone has a molecular weight of 341.42 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 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-(methylamino)pyrazin-2-yl]phenyl]methanone is sourced from PubChem (CID 122568889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).