2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide

C18H24N4O2 — CID 42957552

IUPAC2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
SMILESCC(CN1CCCCC1)NC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H24N4O2/c1-13(12-22-9-5-2-6-10-22)19-17(23)11-16-14-7-3-4-8-15(14)18(24)21-20-16/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,19,23)(H,21,24)
InChIKeyHTIAGHINHSUVTL-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.46
Rot. Bonds5

About 2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide

2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide (PubChem CID 42957552) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
PubChem CID42957552
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
SMILESCC(CN1CCCCC1)NC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H24N4O2/c1-13(12-22-9-5-2-6-10-22)19-17(23)11-16-14-7-3-4-8-15(14)18(24)21-20-16/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,19,23)(H,21,24)
InChIKeyHTIAGHINHSUVTL-UHFFFAOYSA-N
XLogP1.46
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
CID 46966888
N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52996120
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17416824
N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91820903
N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 34078536
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 45371525
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166188485
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91822227
4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 51473384
2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]acetamide
CID 16671484

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide?
The IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide (CID 42957552) is 2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide is CC(CN1CCCCC1)NC(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide?
The InChIKey is HTIAGHINHSUVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(12-22-9-5-2-6-10-22)19-17(23)11-16-14-7-3-4-8-15(14)18(24)21-20-16/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,19,23)(H,21,24).
What are the key properties of 2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide?
2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide is sourced from PubChem (CID 42957552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).