N-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide

C22H24N4O2 — CID 35558093

IUPACN-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c27-21(16-26-22(28)20-9-5-4-8-18(20)14-23-26)24-19-10-12-25(13-11-19)15-17-6-2-1-3-7-17/h1-9,14,19H,10-13,15-16H2,(H,24,27)
InChIKeyTZEMXUGUVOCIPY-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.18
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 35558093) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID35558093
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c27-21(16-26-22(28)20-9-5-4-8-18(20)14-23-26)24-19-10-12-25(13-11-19)15-17-6-2-1-3-7-17/h1-9,14,19H,10-13,15-16H2,(H,24,27)
InChIKeyTZEMXUGUVOCIPY-UHFFFAOYSA-N
XLogP2.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzylpyrazol-3-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 55574993
N-(1-benzylpiperidin-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 38548825
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 86772662
2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phthalazin-1-one
CID 11245846
N-cyclopropyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 55574362
N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 46378633
N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 119619251
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 53207408
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 22513225
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 6623641
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26736638
N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 71709864

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide (CID 35558093) is N-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide is O=C(Cn1ncc2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is TZEMXUGUVOCIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21(16-26-22(28)20-9-5-4-8-18(20)14-23-26)24-19-10-12-25(13-11-19)15-17-6-2-1-3-7-17/h1-9,14,19H,10-13,15-16H2,(H,24,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 35558093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).