2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone

C22H30N4O — CID 119878570

IUPAC2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone
SMILESCN(CCN1CCN(C(=O)Cc2ccc(N)cc2)CC1)Cc1ccccc1
InChIInChI=1S/C22H30N4O/c1-24(18-20-5-3-2-4-6-20)11-12-25-13-15-26(16-14-25)22(27)17-19-7-9-21(23)10-8-19/h2-10H,11-18,23H2,1H3
InChIKeyRYFDLOLHMNZURK-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.09
Rot. Bonds7

About 2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone

2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone (PubChem CID 119878570) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone
PubChem CID119878570
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone
SMILESCN(CCN1CCN(C(=O)Cc2ccc(N)cc2)CC1)Cc1ccccc1
InChIInChI=1S/C22H30N4O/c1-24(18-20-5-3-2-4-6-20)11-12-25-13-15-26(16-14-25)22(27)17-19-7-9-21(23)10-8-19/h2-10H,11-18,23H2,1H3
InChIKeyRYFDLOLHMNZURK-UHFFFAOYSA-N
XLogP2.09
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 16773079
(3-aminophenyl)-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119878601
2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone
CID 119878564
2-(4-aminophenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 60964119
2-(4-aminophenyl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 119832324
1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119878618
2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 119900175
1-(4-pentylpiperazin-1-yl)-2-phenylethanone
CID 113075097
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
1-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-4-phenylbutan-1-one
CID 119444704
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826832

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone (CID 119878570) is 2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone is CN(CCN1CCN(C(=O)Cc2ccc(N)cc2)CC1)Cc1ccccc1.
What is the InChIKey of 2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone?
The InChIKey is RYFDLOLHMNZURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-24(18-20-5-3-2-4-6-20)11-12-25-13-15-26(16-14-25)22(27)17-19-7-9-21(23)10-8-19/h2-10H,11-18,23H2,1H3.
What are the key properties of 2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone?
2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone has a molecular weight of 366.51 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 119878570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).