2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide

C24H28N4O3 — CID 39249673

IUPAC2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCC1CCN(Cc2ccc(CNC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)cc2)CC1
InChIInChI=1S/C24H28N4O3/c1-17-10-12-27(13-11-17)15-19-8-6-18(7-9-19)14-25-22(29)16-28-24(31)21-5-3-2-4-20(21)23(30)26-28/h2-9,17H,10-16H2,1H3,(H,25,29)(H,26,30)
InChIKeyQPDOKEPPERWUBQ-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.24
Rot. Bonds6

About 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 39249673) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID39249673
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCC1CCN(Cc2ccc(CNC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)cc2)CC1
InChIInChI=1S/C24H28N4O3/c1-17-10-12-27(13-11-17)15-19-8-6-18(7-9-19)14-25-22(29)16-28-24(31)21-5-3-2-4-20(21)23(30)26-28/h2-9,17H,10-16H2,1H3,(H,25,29)(H,26,30)
InChIKeyQPDOKEPPERWUBQ-UHFFFAOYSA-N
XLogP2.24
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide with MolForge

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Related Compounds

N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 36543473
2-(4-methylpiperidin-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8558402
N-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 38656580
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 30470832
2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845098
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55650881
5-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 55677777
4-fluoro-N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
CID 38401061
3-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 27745227
2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 46469858

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide (CID 39249673) is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide is CC1CCN(Cc2ccc(CNC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)cc2)CC1.
What is the InChIKey of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is QPDOKEPPERWUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17-10-12-27(13-11-17)15-19-8-6-18(7-9-19)14-25-22(29)16-28-24(31)21-5-3-2-4-20(21)23(30)26-28/h2-9,17H,10-16H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 39249673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).