1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone

C22H26N2O3 — CID 170862014

IUPAC1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(C(=O)CN3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-23-11-13-24(14-12-23)16-22(26)19-5-3-17(4-6-19)15-21(25)18-7-9-20(27-2)10-8-18/h3-10H,11-16H2,1-2H3
InChIKeyHYKKETQCPBDSIZ-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.55
Rot. Bonds7

About 1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone

1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone (PubChem CID 170862014) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone
PubChem CID170862014
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(C(=O)CN3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-23-11-13-24(14-12-23)16-22(26)19-5-3-17(4-6-19)15-21(25)18-7-9-20(27-2)10-8-18/h3-10H,11-16H2,1-2H3
InChIKeyHYKKETQCPBDSIZ-UHFFFAOYSA-N
XLogP2.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62777262
2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone
CID 170861790
1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862095
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
4-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 11673420
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110359021
[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl] trifluoromethanesulfonate
CID 170861800
1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63633759
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110356972

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone (CID 170862014) is 1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone is COc1ccc(C(=O)Cc2ccc(C(=O)CN3CCN(C)CC3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone?
The InChIKey is HYKKETQCPBDSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-23-11-13-24(14-12-23)16-22(26)19-5-3-17(4-6-19)15-21(25)18-7-9-20(27-2)10-8-18/h3-10H,11-16H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone?
1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone has a molecular weight of 366.46 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone is sourced from PubChem (CID 170862014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).