N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide

C27H30N4O2 — CID 68867201

IUPACN-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide
SMILESCC(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(N)ccc4C)cc3)cc2)CC1
InChIInChI=1S/C27H30N4O2/c1-19-3-10-24(28)17-26(19)22-6-8-23(9-7-22)27(33)29-25-11-4-21(5-12-25)18-30-13-15-31(16-14-30)20(2)32/h3-12,17H,13-16,18,28H2,1-2H3,(H,29,33)
InChIKeyJGVCHMPJHACYFS-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.16
Rot. Bonds5

About N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide

N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide (PubChem CID 68867201) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide
PubChem CID68867201
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide
SMILESCC(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(N)ccc4C)cc3)cc2)CC1
InChIInChI=1S/C27H30N4O2/c1-19-3-10-24(28)17-26(19)22-6-8-23(9-7-22)27(33)29-25-11-4-21(5-12-25)18-30-13-15-31(16-14-30)20(2)32/h3-12,17H,13-16,18,28H2,1-2H3,(H,29,33)
InChIKeyJGVCHMPJHACYFS-UHFFFAOYSA-N
XLogP4.16
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[5-(hydroxymethyl)-2-methylphenyl]benzamide
CID 59822356
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide
CID 120647871
4-(5-cyano-2-methylphenyl)-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide
CID 59822390
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-cyclobutylbenzamide
CID 119047961
5-amino-N-[4-(azepan-1-ylmethyl)phenyl]-2-methylbenzamide;dihydrochloride
CID 120645609
N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 141217445
(2S)-N-[3-[4-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]carbamoyl]phenyl]-4-methylphenyl]pyrrolidine-2-carboxamide
CID 71588885
5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 120641536
4-chloro-N-[4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524261
N-(3-formyl-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 87562064
1-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]ethanone
CID 123780997

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide?
The IUPAC name of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide (CID 68867201) is N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide.
What is the SMILES notation for N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide?
The canonical SMILES for N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide is CC(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(N)ccc4C)cc3)cc2)CC1.
What is the InChIKey of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide?
The InChIKey is JGVCHMPJHACYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-19-3-10-24(28)17-26(19)22-6-8-23(9-7-22)27(33)29-25-11-4-21(5-12-25)18-30-13-15-31(16-14-30)20(2)32/h3-12,17H,13-16,18,28H2,1-2H3,(H,29,33).
What are the key properties of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide?
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide has a molecular weight of 442.56 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide is sourced from PubChem (CID 68867201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).