N-(2-fluoro-4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide

C23H25FN4O2 — CID 46396969

IUPACN-(2-fluoro-4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2nc(N3CCCC(C)C3)c3ccccc3c2=O)c(F)c1
InChIInChI=1S/C23H25FN4O2/c1-15-9-10-20(19(24)12-15)25-21(29)14-28-23(30)18-8-4-3-7-17(18)22(26-28)27-11-5-6-16(2)13-27/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3,(H,25,29)
InChIKeyHAMVKHHIEBZRPC-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.72
Rot. Bonds4

About N-(2-fluoro-4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide

N-(2-fluoro-4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide (PubChem CID 46396969) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide
PubChem CID46396969
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2nc(N3CCCC(C)C3)c3ccccc3c2=O)c(F)c1
InChIInChI=1S/C23H25FN4O2/c1-15-9-10-20(19(24)12-15)25-21(29)14-28-23(30)18-8-4-3-7-17(18)22(26-28)27-11-5-6-16(2)13-27/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3,(H,25,29)
InChIKeyHAMVKHHIEBZRPC-UHFFFAOYSA-N
XLogP3.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3R)-3-methylpiperidin-1-yl]-1-oxophthalazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 51661363
N-(3-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide
CID 46396947
N-[4-(diethylamino)-2-methylphenyl]-2-[4-(4-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide
CID 46396902
N-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide
CID 46396846
N-(2,4-dimethylphenyl)-2-[8-[(3S)-3-methylpiperidin-1-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 94215702
N-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide
CID 22425705
N-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896946
N-(3,5-dimethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide
CID 53137015
3-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2521587
N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583449
N-(2,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824448
N-(2-fluoro-4-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 17403289

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide (CID 46396969) is N-(2-fluoro-4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide is Cc1ccc(NC(=O)Cn2nc(N3CCCC(C)C3)c3ccccc3c2=O)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide?
The InChIKey is HAMVKHHIEBZRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-15-9-10-20(19(24)12-15)25-21(29)14-28-23(30)18-8-4-3-7-17(18)22(26-28)27-11-5-6-16(2)13-27/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3,(H,25,29).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide?
N-(2-fluoro-4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide is sourced from PubChem (CID 46396969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).