N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-4-methylbenzamide

C28H28N4O2 — CID 6407054

IUPACN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-4-methylbenzamide
SMILESCOc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)c3ccc(C)cc3)c2)c2ccccc12
InChIInChI=1S/C28H28N4O2/c1-19-10-12-20(13-11-19)27(33)29-24-18-21(14-15-25(24)32-16-6-3-7-17-32)26-22-8-4-5-9-23(22)28(34-2)31-30-26/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,29,33)
InChIKeyHGUHPOKYILRYLL-UHFFFAOYSA-N
MW452.56 g/mol
LogP5.86
Rot. Bonds5

About N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-4-methylbenzamide

N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-4-methylbenzamide (PubChem CID 6407054) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-4-methylbenzamide
PubChem CID6407054
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC NameN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-4-methylbenzamide
SMILESCOc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)c3ccc(C)cc3)c2)c2ccccc12
InChIInChI=1S/C28H28N4O2/c1-19-10-12-20(13-11-19)27(33)29-24-18-21(14-15-25(24)32-16-6-3-7-17-32)26-22-8-4-5-9-23(22)28(34-2)31-30-26/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,29,33)
InChIKeyHGUHPOKYILRYLL-UHFFFAOYSA-N
XLogP5.86
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-4-methylbenzamide 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

5-(4-Methoxyphthalazin-1-yl)-2-piperidin-1-ylaniline
CID 2953423
N-[5-(4-methoxyphthalazin-1-yl)-2-(morpholin-4-yl)phenyl]acetamide
CID 662471
N-[5-(4-methoxy-1-phthalazinyl)-2-(4-morpholinyl)phenyl]cyclohexanecarboxamide
CID 2945285
N-[5-(4-Methoxy-phthalazin-1-yl)-2-morpholin-4-yl-phenyl]-benzamide
CID 3154339
4-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]benzamide
CID 6407021
N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]cyclohexanecarboxamide
CID 6407393
N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-(methylaminomethyl)-3-(trifluoromethyl)benzamide
CID 90456763
(1R,9S)-11-[4-(4-methoxyphthalazin-1-yl)benzoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 664725
N-[4-(4-phenylphthalazin-1-yl)oxyphenyl]benzamide
CID 2902544
N-[5-(4-methoxy-1-phthalazinyl)-2-(4-morpholinyl)phenyl]-4-methylbenzamide
CID 2945880
N-(4-{[4-(4-methylphenyl)phthalazin-1-yl]oxy}phenyl)benzamide
CID 6402455
N-[5-(4-methoxyphthalazin-1-yl)-2-(morpholin-4-yl)phenyl]propanamide
CID 662299

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-4-methylbenzamide?
The IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-4-methylbenzamide (CID 6407054) is N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-4-methylbenzamide?
The canonical SMILES for N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-4-methylbenzamide is COc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)c3ccc(C)cc3)c2)c2ccccc12.
What is the InChIKey of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-4-methylbenzamide?
The InChIKey is HGUHPOKYILRYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-19-10-12-20(13-11-19)27(33)29-24-18-21(14-15-25(24)32-16-6-3-7-17-32)26-22-8-4-5-9-23(22)28(34-2)31-30-26/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,29,33).
What are the key properties of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-4-methylbenzamide?
N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-4-methylbenzamide has a molecular weight of 452.56 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-4-methylbenzamide is sourced from PubChem (CID 6407054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).