2-methyl-4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]phthalazin-1-one

C25H30N4O2 — CID 30758411

IUPAC2-methyl-4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]phthalazin-1-one
SMILESCC(C)c1ccc(CN2CCN(C(=O)Cc3nn(C)c(=O)c4ccccc34)CC2)cc1
InChIInChI=1S/C25H30N4O2/c1-18(2)20-10-8-19(9-11-20)17-28-12-14-29(15-13-28)24(30)16-23-21-6-4-5-7-22(21)25(31)27(3)26-23/h4-11,18H,12-17H2,1-3H3
InChIKeyPNAFTYHJHXJAMP-UHFFFAOYSA-N
MW418.54 g/mol
LogP2.94
Rot. Bonds5

About 2-methyl-4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]phthalazin-1-one

2-methyl-4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]phthalazin-1-one (PubChem CID 30758411) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-methyl-4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-methyl-4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]phthalazin-1-one
PubChem CID30758411
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name2-methyl-4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]phthalazin-1-one
SMILESCC(C)c1ccc(CN2CCN(C(=O)Cc3nn(C)c(=O)c4ccccc34)CC2)cc1
InChIInChI=1S/C25H30N4O2/c1-18(2)20-10-8-19(9-11-20)17-28-12-14-29(15-13-28)24(30)16-23-21-6-4-5-7-22(21)25(31)27(3)26-23/h4-11,18H,12-17H2,1-3H3
InChIKeyPNAFTYHJHXJAMP-UHFFFAOYSA-N
XLogP2.94
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]phthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one
CID 55381465
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55633973
2-methyl-4-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 55975844
2-methyl-4-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]phthalazin-1-one
CID 55379468
2-methyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one
CID 119577518
(3S)-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 125149122
3-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinazolin-4-one
CID 24515334
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)methanesulfonamide
CID 1135728
2-methyl-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbonyl]phthalazin-1-one
CID 9109567
4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one
CID 47736317
4-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one
CID 26382668
3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanoic acid
CID 43396140

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]phthalazin-1-one?
The IUPAC name of 2-methyl-4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]phthalazin-1-one (CID 30758411) is 2-methyl-4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]phthalazin-1-one.
What is the SMILES notation for 2-methyl-4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]phthalazin-1-one?
The canonical SMILES for 2-methyl-4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]phthalazin-1-one is CC(C)c1ccc(CN2CCN(C(=O)Cc3nn(C)c(=O)c4ccccc34)CC2)cc1.
What is the InChIKey of 2-methyl-4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]phthalazin-1-one?
The InChIKey is PNAFTYHJHXJAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18(2)20-10-8-19(9-11-20)17-28-12-14-29(15-13-28)24(30)16-23-21-6-4-5-7-22(21)25(31)27(3)26-23/h4-11,18H,12-17H2,1-3H3.
What are the key properties of 2-methyl-4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]phthalazin-1-one?
2-methyl-4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]phthalazin-1-one has a molecular weight of 418.54 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]phthalazin-1-one is sourced from PubChem (CID 30758411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).