N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C21H22N4O4 — CID 17498127

IUPACN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)NC2CCN(C(=O)c3ccco3)CC2)c2ccccc2c1=O
InChIInChI=1S/C21H22N4O4/c1-24-20(27)16-6-3-2-5-15(16)17(23-24)13-19(26)22-14-8-10-25(11-9-14)21(28)18-7-4-12-29-18/h2-7,12,14H,8-11,13H2,1H3,(H,22,26)
InChIKeyGNAMGNLCZPTRTG-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.49
Rot. Bonds4

About N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 17498127) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID17498127
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)NC2CCN(C(=O)c3ccco3)CC2)c2ccccc2c1=O
InChIInChI=1S/C21H22N4O4/c1-24-20(27)16-6-3-2-5-15(16)17(23-24)13-19(26)22-14-8-10-25(11-9-14)21(28)18-7-4-12-29-18/h2-7,12,14H,8-11,13H2,1H3,(H,22,26)
InChIKeyGNAMGNLCZPTRTG-UHFFFAOYSA-N
XLogP1.49
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide 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

N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18144349
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55949418
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820105
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-nitrophenyl)acetamide
CID 16606697
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 16613683
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18146081
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 18154917
1-[1-(furan-2-carbonyl)piperidin-4-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 78860632
(3S)-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 125149122
2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
CID 9205666
3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 18149437
N-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide
CID 49352294

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 17498127) is N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)NC2CCN(C(=O)c3ccco3)CC2)c2ccccc2c1=O.
What is the InChIKey of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is GNAMGNLCZPTRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-24-20(27)16-6-3-2-5-15(16)17(23-24)13-19(26)22-14-8-10-25(11-9-14)21(28)18-7-4-12-29-18/h2-7,12,14H,8-11,13H2,1H3,(H,22,26).
What are the key properties of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 394.43 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 17498127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).