3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide

C18H24N4O2 — CID 9264807

IUPAC3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
SMILESCCCN1CCC(NC(=O)c2nn(C)c(=O)c3ccccc23)CC1
InChIInChI=1S/C18H24N4O2/c1-3-10-22-11-8-13(9-12-22)19-17(23)16-14-6-4-5-7-15(14)18(24)21(2)20-16/h4-7,13H,3,8-12H2,1-2H3,(H,19,23)
InChIKeyTVSDIYVOBSRLHI-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.54
Rot. Bonds4

About 3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide

3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide (PubChem CID 9264807) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
PubChem CID9264807
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
SMILESCCCN1CCC(NC(=O)c2nn(C)c(=O)c3ccccc23)CC1
InChIInChI=1S/C18H24N4O2/c1-3-10-22-11-8-13(9-12-22)19-17(23)16-14-6-4-5-7-15(14)18(24)21(2)20-16/h4-7,13H,3,8-12H2,1-2H3,(H,19,23)
InChIKeyTVSDIYVOBSRLHI-UHFFFAOYSA-N
XLogP1.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-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

4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
CID 9264776
N-(4-hydroxycyclohexyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2677364
3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide
CID 95231092
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 46539232
3-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]phthalazine-1-carboxamide
CID 9163172
3-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-oxophthalazine-1-carboxamide
CID 24790624
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 94026332
N-(1,1-dioxothiolan-3-yl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 17409229
N-[2-[4-(propanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide
CID 70077964
1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide
CID 103118179
3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide
CID 60693528
N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide (CID 9264807) is 3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide is CCCN1CCC(NC(=O)c2nn(C)c(=O)c3ccccc23)CC1.
What is the InChIKey of 3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide?
The InChIKey is TVSDIYVOBSRLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-10-22-11-8-13(9-12-22)19-17(23)16-14-6-4-5-7-15(14)18(24)21(2)20-16/h4-7,13H,3,8-12H2,1-2H3,(H,19,23).
What are the key properties of 3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide?
3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide is sourced from PubChem (CID 9264807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).