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

C23H26N4O2 — CID 9264776

IUPAC4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
SMILESCCCN1CCC(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)CC1
InChIInChI=1S/C23H26N4O2/c1-2-14-26-15-12-17(13-16-26)24-22(28)21-19-10-6-7-11-20(19)23(29)27(25-21)18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3,(H,24,28)
InChIKeyCCXWOEUVTLQBLK-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.99
Rot. Bonds5

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

4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide (PubChem CID 9264776) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
PubChem CID9264776
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
SMILESCCCN1CCC(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)CC1
InChIInChI=1S/C23H26N4O2/c1-2-14-26-15-12-17(13-16-26)24-22(28)21-19-10-6-7-11-20(19)23(29)27(25-21)18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3,(H,24,28)
InChIKeyCCXWOEUVTLQBLK-UHFFFAOYSA-N
XLogP2.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
CID 9264807
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 41232811
4-oxo-N-pentyl-3-phenylphthalazine-1-carboxamide
CID 7779349
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 46539232
N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2107436
N'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9219996
2-(3-chlorophenyl)-5-methyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide
CID 78823487
N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53008425
4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3-phenylphthalazine-1-carboxamide
CID 8733517
3-(4-methoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
CID 20970842
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
CID 44773550
N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2409947

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide (CID 9264776) is 4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide is CCCN1CCC(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)CC1.
What is the InChIKey of 4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide?
The InChIKey is CCXWOEUVTLQBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-14-26-15-12-17(13-16-26)24-22(28)21-19-10-6-7-11-20(19)23(29)27(25-21)18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3,(H,24,28).
What are the key properties of 4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide?
4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide is sourced from PubChem (CID 9264776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).