2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone

C31H44N4O2 — CID 170861790

IUPAC2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone
SMILESCN1CCN(CC(=O)c2ccc(CCCCCc3ccc(C(=O)CN4CCN(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C31H44N4O2/c1-32-16-20-34(21-17-32)24-30(36)28-12-8-26(9-13-28)6-4-3-5-7-27-10-14-29(15-11-27)31(37)25-35-22-18-33(2)19-23-35/h8-15H,3-7,16-25H2,1-2H3
InChIKeyBWQIBQUQPLPJTQ-UHFFFAOYSA-N
MW504.72 g/mol
LogP3.50
Rot. Bonds12

About 2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone

2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone (PubChem CID 170861790) has the molecular formula C31H44N4O2 and a molecular weight of 504.72 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone
PubChem CID170861790
Molecular FormulaC31H44N4O2
Molecular Weight504.72 g/mol
Exact Mass504.35
IUPAC Name2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone
SMILESCN1CCN(CC(=O)c2ccc(CCCCCc3ccc(C(=O)CN4CCN(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C31H44N4O2/c1-32-16-20-34(21-17-32)24-30(36)28-12-8-26(9-13-28)6-4-3-5-7-27-10-14-29(15-11-27)31(37)25-35-22-18-33(2)19-23-35/h8-15H,3-7,16-25H2,1-2H3
InChIKeyBWQIBQUQPLPJTQ-UHFFFAOYSA-N
XLogP3.50
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.72
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone with MolForge

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Related Compounds

2-(4-methylpiperazin-1-yl)-1-(4-octylphenyl)ethanone
CID 170861609
2-(4-methylpiperazin-1-yl)-1-[4-(4-pentylphenyl)phenyl]ethanone
CID 170861866
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone
CID 62024063
1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone
CID 170862014
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 14852210
2-(4-methylpiperazin-1-yl)-1-(4-octadecoxyphenyl)ethanone
CID 170861782
1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219358
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide
CID 110314943
1-[4-(butylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862133
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
CID 117368603
2-(4-methylpiperazin-1-yl)-1-(4-phenylsulfanylphenyl)ethanone;dihydrochloride
CID 44723853

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone (CID 170861790) is 2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone is CN1CCN(CC(=O)c2ccc(CCCCCc3ccc(C(=O)CN4CCN(C)CC4)cc3)cc2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone?
The InChIKey is BWQIBQUQPLPJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N4O2/c1-32-16-20-34(21-17-32)24-30(36)28-12-8-26(9-13-28)6-4-3-5-7-27-10-14-29(15-11-27)31(37)25-35-22-18-33(2)19-23-35/h8-15H,3-7,16-25H2,1-2H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone?
2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone has a molecular weight of 504.72 g/mol, XLogP of 3.50, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone is sourced from PubChem (CID 170861790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).