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

C24H32N2O — CID 170861866

IUPAC2-(4-methylpiperazin-1-yl)-1-[4-(4-pentylphenyl)phenyl]ethanone
SMILESCCCCCc1ccc(-c2ccc(C(=O)CN3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C24H32N2O/c1-3-4-5-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)24(27)19-26-17-15-25(2)16-18-26/h7-14H,3-6,15-19H2,1-2H3
InChIKeyDABCNCQQQMPYBM-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.52
Rot. Bonds8

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

2-(4-methylpiperazin-1-yl)-1-[4-(4-pentylphenyl)phenyl]ethanone (PubChem CID 170861866) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-[4-(4-pentylphenyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-[4-(4-pentylphenyl)phenyl]ethanone
PubChem CID170861866
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name2-(4-methylpiperazin-1-yl)-1-[4-(4-pentylphenyl)phenyl]ethanone
SMILESCCCCCc1ccc(-c2ccc(C(=O)CN3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C24H32N2O/c1-3-4-5-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)24(27)19-26-17-15-25(2)16-18-26/h7-14H,3-6,15-19H2,1-2H3
InChIKeyDABCNCQQQMPYBM-UHFFFAOYSA-N
XLogP4.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperazin-1-yl)-1-(4-octylphenyl)ethanone
CID 170861609
2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone
CID 170861790
2-(4-methylpiperazin-1-yl)-1-(4-octadecoxyphenyl)ethanone
CID 170861782
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone
CID 62024063
1-[4-(butylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862133
1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219358
4-(4-dodecylphenyl)benzoic acid
CID 3092136
2-iodo-1-[4-(4-octylphenyl)phenyl]ethanone
CID 21028908
1-[4-(4-pentylphenyl)phenyl]heptane-1,3-dione
CID 20503237
2-morpholin-4-yl-1-(4-propylphenyl)ethanone
CID 43219458
2-ethylsulfanyl-1-(4-hexylphenyl)ethanone
CID 82050314
1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone
CID 170862014

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-[4-(4-pentylphenyl)phenyl]ethanone?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-[4-(4-pentylphenyl)phenyl]ethanone (CID 170861866) is 2-(4-methylpiperazin-1-yl)-1-[4-(4-pentylphenyl)phenyl]ethanone.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-[4-(4-pentylphenyl)phenyl]ethanone?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-[4-(4-pentylphenyl)phenyl]ethanone is CCCCCc1ccc(-c2ccc(C(=O)CN3CCN(C)CC3)cc2)cc1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-[4-(4-pentylphenyl)phenyl]ethanone?
The InChIKey is DABCNCQQQMPYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-3-4-5-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)24(27)19-26-17-15-25(2)16-18-26/h7-14H,3-6,15-19H2,1-2H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-[4-(4-pentylphenyl)phenyl]ethanone?
2-(4-methylpiperazin-1-yl)-1-[4-(4-pentylphenyl)phenyl]ethanone has a molecular weight of 364.53 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-[4-(4-pentylphenyl)phenyl]ethanone is sourced from PubChem (CID 170861866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).