2-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]phthalazin-1-one

C22H25N3O2 — CID 56682288

IUPAC2-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]phthalazin-1-one
SMILESCn1nc(-c2ccc(OCCN3CCCCC3)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H25N3O2/c1-24-22(26)20-8-4-3-7-19(20)21(23-24)17-9-11-18(12-10-17)27-16-15-25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-16H2,1H3
InChIKeyPRQBLTDWNZALRX-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.47
Rot. Bonds5

About 2-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]phthalazin-1-one

2-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]phthalazin-1-one (PubChem CID 56682288) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]phthalazin-1-one.

Molecular Properties

Compound Name2-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]phthalazin-1-one
PubChem CID56682288
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]phthalazin-1-one
SMILESCn1nc(-c2ccc(OCCN3CCCCC3)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H25N3O2/c1-24-22(26)20-8-4-3-7-19(20)21(23-24)17-9-11-18(12-10-17)27-16-15-25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-16H2,1H3
InChIKeyPRQBLTDWNZALRX-UHFFFAOYSA-N
XLogP3.47
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]phthalazin-1-one?
The IUPAC name of 2-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]phthalazin-1-one (CID 56682288) is 2-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]phthalazin-1-one.
What is the SMILES notation for 2-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]phthalazin-1-one?
The canonical SMILES for 2-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]phthalazin-1-one is Cn1nc(-c2ccc(OCCN3CCCCC3)cc2)c2ccccc2c1=O.
What is the InChIKey of 2-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]phthalazin-1-one?
The InChIKey is PRQBLTDWNZALRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-24-22(26)20-8-4-3-7-19(20)21(23-24)17-9-11-18(12-10-17)27-16-15-25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-16H2,1H3.
What are the key properties of 2-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]phthalazin-1-one?
2-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]phthalazin-1-one has a molecular weight of 363.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]phthalazin-1-one is sourced from PubChem (CID 56682288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).