4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one

C22H29N3O — CID 69047856

IUPAC4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESCC1CCN(Cc2ccc(Cc3n[nH]c(=O)c4c3CCCC4)cc2)CC1
InChIInChI=1S/C22H29N3O/c1-16-10-12-25(13-11-16)15-18-8-6-17(7-9-18)14-21-19-4-2-3-5-20(19)22(26)24-23-21/h6-9,16H,2-5,10-15H2,1H3,(H,24,26)
InChIKeyOHMOEIZZRQGSGH-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.47
Rot. Bonds4

About 4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one

4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one (PubChem CID 69047856) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
PubChem CID69047856
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESCC1CCN(Cc2ccc(Cc3n[nH]c(=O)c4c3CCCC4)cc2)CC1
InChIInChI=1S/C22H29N3O/c1-16-10-12-25(13-11-16)15-18-8-6-17(7-9-18)14-21-19-4-2-3-5-20(19)22(26)24-23-21/h6-9,16H,2-5,10-15H2,1H3,(H,24,26)
InChIKeyOHMOEIZZRQGSGH-UHFFFAOYSA-N
XLogP3.47
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-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-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine
CID 3244608
4-[(4-methylpiperidin-1-yl)methyl]benzenesulfonic acid
CID 94830309
4-[2-(4-methylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 66965939
N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960897
4-[[3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 25151492
ethane;4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 158466722
3-[2-fluoro-5-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 25006847
4-[[4-fluoro-3-[(oxan-4-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 25005363
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
4-[3-(azetidin-1-yl)propyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 10214596
4-[2-fluoro-5-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]benzoyl]piperazine-1-carboxylic acid
CID 90851854

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The IUPAC name of 4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one (CID 69047856) is 4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one.
What is the SMILES notation for 4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The canonical SMILES for 4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one is CC1CCN(Cc2ccc(Cc3n[nH]c(=O)c4c3CCCC4)cc2)CC1.
What is the InChIKey of 4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The InChIKey is OHMOEIZZRQGSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-16-10-12-25(13-11-16)15-18-8-6-17(7-9-18)14-21-19-4-2-3-5-20(19)22(26)24-23-21/h6-9,16H,2-5,10-15H2,1H3,(H,24,26).
What are the key properties of 4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one has a molecular weight of 351.49 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one is sourced from PubChem (CID 69047856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).