4-(4-piperidin-1-ylphthalazin-1-yl)benzamide

C20H20N4O — CID 787613

IUPAC4-(4-piperidin-1-ylphthalazin-1-yl)benzamide
SMILESNC(=O)c1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C20H20N4O/c21-19(25)15-10-8-14(9-11-15)18-16-6-2-3-7-17(16)20(23-22-18)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-13H2,(H2,21,25)
InChIKeyRPAPWXMNDSVBBL-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.39
Rot. Bonds3

About 4-(4-piperidin-1-ylphthalazin-1-yl)benzamide

4-(4-piperidin-1-ylphthalazin-1-yl)benzamide (PubChem CID 787613) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-(4-piperidin-1-ylphthalazin-1-yl)benzamide.

Molecular Properties

Compound Name4-(4-piperidin-1-ylphthalazin-1-yl)benzamide
PubChem CID787613
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-(4-piperidin-1-ylphthalazin-1-yl)benzamide
SMILESNC(=O)c1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C20H20N4O/c21-19(25)15-10-8-14(9-11-15)18-16-6-2-3-7-17(16)20(23-22-18)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-13H2,(H2,21,25)
InChIKeyRPAPWXMNDSVBBL-UHFFFAOYSA-N
XLogP3.39
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-1-ylphthalazin-1-yl)benzamide?
The IUPAC name of 4-(4-piperidin-1-ylphthalazin-1-yl)benzamide (CID 787613) is 4-(4-piperidin-1-ylphthalazin-1-yl)benzamide.
What is the SMILES notation for 4-(4-piperidin-1-ylphthalazin-1-yl)benzamide?
The canonical SMILES for 4-(4-piperidin-1-ylphthalazin-1-yl)benzamide is NC(=O)c1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1.
What is the InChIKey of 4-(4-piperidin-1-ylphthalazin-1-yl)benzamide?
The InChIKey is RPAPWXMNDSVBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c21-19(25)15-10-8-14(9-11-15)18-16-6-2-3-7-17(16)20(23-22-18)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-13H2,(H2,21,25).
What are the key properties of 4-(4-piperidin-1-ylphthalazin-1-yl)benzamide?
4-(4-piperidin-1-ylphthalazin-1-yl)benzamide has a molecular weight of 332.41 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-1-ylphthalazin-1-yl)benzamide is sourced from PubChem (CID 787613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).