2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide

C16H21N5O2 — CID 9205666

IUPAC2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(NC(=O)Cc2nn(C)c(=O)c3ccccc23)CC1
InChIInChI=1S/C16H21N5O2/c1-19-7-9-21(10-8-19)18-15(22)11-14-12-5-3-4-6-13(12)16(23)20(2)17-14/h3-6H,7-11H2,1-2H3,(H,18,22)
InChIKeyFJNDXOWKCFZFQO-UHFFFAOYSA-N
MW315.38 g/mol
LogP-0.25
Rot. Bonds3

About 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide

2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide (PubChem CID 9205666) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
PubChem CID9205666
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(NC(=O)Cc2nn(C)c(=O)c3ccccc23)CC1
InChIInChI=1S/C16H21N5O2/c1-19-7-9-21(10-8-19)18-15(22)11-14-12-5-3-4-6-13(12)16(23)20(2)17-14/h3-6H,7-11H2,1-2H3,(H,18,22)
InChIKeyFJNDXOWKCFZFQO-UHFFFAOYSA-N
XLogP-0.25
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55457066
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 9294546
N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17400514
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 27710609
2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301808
N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 120831381
2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 30754178
2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
CID 83016661
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 124812329
2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 17460529
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55633973
1-tert-butyl-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]thiourea
CID 9425923

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide (CID 9205666) is 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide is CN1CCN(NC(=O)Cc2nn(C)c(=O)c3ccccc23)CC1.
What is the InChIKey of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is FJNDXOWKCFZFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-19-7-9-21(10-8-19)18-15(22)11-14-12-5-3-4-6-13(12)16(23)20(2)17-14/h3-6H,7-11H2,1-2H3,(H,18,22).
What are the key properties of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide?
2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 315.38 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 9205666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).