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

C19H26N4O2 — CID 46966888

IUPAC2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
SMILESCCC(CN1CCCCC1)NC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H26N4O2/c1-2-14(13-23-10-6-3-7-11-23)20-18(24)12-17-15-8-4-5-9-16(15)19(25)22-21-17/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,20,24)(H,22,25)
InChIKeySATONLMCLJGEKX-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.85
Rot. Bonds6

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

2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide (PubChem CID 46966888) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
PubChem CID46966888
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
SMILESCCC(CN1CCCCC1)NC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H26N4O2/c1-2-14(13-23-10-6-3-7-11-23)20-18(24)12-17-15-8-4-5-9-16(15)19(25)22-21-17/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,20,24)(H,22,25)
InChIKeySATONLMCLJGEKX-UHFFFAOYSA-N
XLogP1.85
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.85
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-ylpropan-2-yl)acetamide
CID 42957552
2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]acetamide
CID 16671484
N-[(2S)-1-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butan-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 46961289
N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 36573611
N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91820903
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91822227
2-(3-ethyl-4-oxophthalazin-1-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide
CID 51593829
N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17416824
2-(2,7-dimethyl-1H-indol-3-yl)-N-[(2R)-1-piperidin-1-ylbutan-2-yl]acetamide
CID 92586025
N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52996120
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide (CID 46966888) is 2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide is CCC(CN1CCCCC1)NC(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide?
The InChIKey is SATONLMCLJGEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-14(13-23-10-6-3-7-11-23)20-18(24)12-17-15-8-4-5-9-16(15)19(25)22-21-17/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,20,24)(H,22,25).
What are the key properties of 2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide?
2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 1.85, 6 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-ylbutan-2-yl)acetamide is sourced from PubChem (CID 46966888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).