N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-1-oxo-2H-phthalazine-5-carboxamide

C23H24N4O2 — CID 166334917

IUPACN-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-1-oxo-2H-phthalazine-5-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C2(CC2)C1)c1cccc2c(=O)[nH]ncc12
InChIInChI=1S/C23H24N4O2/c28-21(18-7-4-8-19-20(18)14-24-26-22(19)29)25-17-9-12-27(23(13-17)10-11-23)15-16-5-2-1-3-6-16/h1-8,14,17H,9-13,15H2,(H,25,28)(H,26,29)
InChIKeyTVBKWNSJRZFTOY-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.85
Rot. Bonds4

About N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-1-oxo-2H-phthalazine-5-carboxamide

N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-1-oxo-2H-phthalazine-5-carboxamide (PubChem CID 166334917) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-1-oxo-2H-phthalazine-5-carboxamide.

Molecular Properties

Compound NameN-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-1-oxo-2H-phthalazine-5-carboxamide
PubChem CID166334917
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-1-oxo-2H-phthalazine-5-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C2(CC2)C1)c1cccc2c(=O)[nH]ncc12
InChIInChI=1S/C23H24N4O2/c28-21(18-7-4-8-19-20(18)14-24-26-22(19)29)25-17-9-12-27(23(13-17)10-11-23)15-16-5-2-1-3-6-16/h1-8,14,17H,9-13,15H2,(H,25,28)(H,26,29)
InChIKeyTVBKWNSJRZFTOY-UHFFFAOYSA-N
XLogP2.85
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-1-oxo-2H-phthalazine-5-carboxamide 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-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide
CID 167751309
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 53207408
2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid
CID 166288939
N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 46341484
N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 139011250
N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402185
2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
CID 110451979
N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide
CID 94821910
N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554058
2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255
N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10568741
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554043

Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-1-oxo-2H-phthalazine-5-carboxamide?
The IUPAC name of N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-1-oxo-2H-phthalazine-5-carboxamide (CID 166334917) is N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-1-oxo-2H-phthalazine-5-carboxamide.
What is the SMILES notation for N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-1-oxo-2H-phthalazine-5-carboxamide?
The canonical SMILES for N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-1-oxo-2H-phthalazine-5-carboxamide is O=C(NC1CCN(Cc2ccccc2)C2(CC2)C1)c1cccc2c(=O)[nH]ncc12.
What is the InChIKey of N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-1-oxo-2H-phthalazine-5-carboxamide?
The InChIKey is TVBKWNSJRZFTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-21(18-7-4-8-19-20(18)14-24-26-22(19)29)25-17-9-12-27(23(13-17)10-11-23)15-16-5-2-1-3-6-16/h1-8,14,17H,9-13,15H2,(H,25,28)(H,26,29).
What are the key properties of N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-1-oxo-2H-phthalazine-5-carboxamide?
N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-1-oxo-2H-phthalazine-5-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-1-oxo-2H-phthalazine-5-carboxamide is sourced from PubChem (CID 166334917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).