3-[[4-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]-5-phenyl-1H-pyridin-2-one

C24H28N4O — CID 92608687

IUPAC3-[[4-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]-5-phenyl-1H-pyridin-2-one
SMILESCN1CCN(Cc2ccc(NCc3cc(-c4ccccc4)c[nH]c3=O)cc2)CC1
InChIInChI=1S/C24H28N4O/c1-27-11-13-28(14-12-27)18-19-7-9-23(10-8-19)25-17-22-15-21(16-26-24(22)29)20-5-3-2-4-6-20/h2-10,15-16,25H,11-14,17-18H2,1H3,(H,26,29)
InChIKeyDPEBTEHQEXAUSE-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.40
Rot. Bonds6

About 3-[[4-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]-5-phenyl-1H-pyridin-2-one

3-[[4-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]-5-phenyl-1H-pyridin-2-one (PubChem CID 92608687) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 3-[[4-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]-5-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[4-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]-5-phenyl-1H-pyridin-2-one
PubChem CID92608687
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name3-[[4-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]-5-phenyl-1H-pyridin-2-one
SMILESCN1CCN(Cc2ccc(NCc3cc(-c4ccccc4)c[nH]c3=O)cc2)CC1
InChIInChI=1S/C24H28N4O/c1-27-11-13-28(14-12-27)18-19-7-9-23(10-8-19)25-17-22-15-21(16-26-24(22)29)20-5-3-2-4-6-20/h2-10,15-16,25H,11-14,17-18H2,1H3,(H,26,29)
InChIKeyDPEBTEHQEXAUSE-UHFFFAOYSA-N
XLogP3.40
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-3-[[4-(morpholin-4-ylmethyl)anilino]methyl]-1H-pyridin-2-one
CID 92570085
N-(2,2-dimethylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]aniline
CID 112721064
4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 112721039
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzoyl]amino]phenyl]acetic acid
CID 138811017
1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine
CID 70325548
N-[(2-methylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline
CID 83960875
N-(2-ethylbutyl)-4-[(4-methylpiperazin-1-yl)methyl]aniline
CID 112721076
N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 59627322
1-benzyl-4-methylpiperazine;formic acid
CID 54605116
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-phenyl-1,3-oxazol-2-amine
CID 18439791
[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-oxo-2H-isoquinolin-5-yl]methylcarbamic acid
CID 144805886

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]-5-phenyl-1H-pyridin-2-one?
The IUPAC name of 3-[[4-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]-5-phenyl-1H-pyridin-2-one (CID 92608687) is 3-[[4-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]-5-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[[4-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]-5-phenyl-1H-pyridin-2-one?
The canonical SMILES for 3-[[4-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]-5-phenyl-1H-pyridin-2-one is CN1CCN(Cc2ccc(NCc3cc(-c4ccccc4)c[nH]c3=O)cc2)CC1.
What is the InChIKey of 3-[[4-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]-5-phenyl-1H-pyridin-2-one?
The InChIKey is DPEBTEHQEXAUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-27-11-13-28(14-12-27)18-19-7-9-23(10-8-19)25-17-22-15-21(16-26-24(22)29)20-5-3-2-4-6-20/h2-10,15-16,25H,11-14,17-18H2,1H3,(H,26,29).
What are the key properties of 3-[[4-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]-5-phenyl-1H-pyridin-2-one?
3-[[4-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]-5-phenyl-1H-pyridin-2-one has a molecular weight of 388.52 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]-5-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 92608687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).