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

C27H26N4O2 — CID 6407400

IUPACN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide
SMILESCOc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)c3ccccc3)c2)c2ccccc12
InChIInChI=1S/C27H26N4O2/c1-33-27-22-13-7-6-12-21(22)25(29-30-27)20-14-15-24(31-16-8-3-9-17-31)23(18-20)28-26(32)19-10-4-2-5-11-19/h2,4-7,10-15,18H,3,8-9,16-17H2,1H3,(H,28,32)
InChIKeyCXGKCWZOCVZVRO-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.55
Rot. Bonds5

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

N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide (PubChem CID 6407400) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide
PubChem CID6407400
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC NameN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide
SMILESCOc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)c3ccccc3)c2)c2ccccc12
InChIInChI=1S/C27H26N4O2/c1-33-27-22-13-7-6-12-21(22)25(29-30-27)20-14-15-24(31-16-8-3-9-17-31)23(18-20)28-26(32)19-10-4-2-5-11-19/h2,4-7,10-15,18H,3,8-9,16-17H2,1H3,(H,28,32)
InChIKeyCXGKCWZOCVZVRO-UHFFFAOYSA-N
XLogP5.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Methoxy-1-phthalazinyl)-2-(1-piperidinyl)aniline
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-1-phthalazinyl)-2-(4-morpholinyl)phenyl]-2-furamide
CID 2945487
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
3-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]benzamide
CID 90464890
(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)oxy)phenyl)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

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide?
The IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide (CID 6407400) is N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide.
What is the SMILES notation for N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide?
The canonical SMILES for N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide is COc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)c3ccccc3)c2)c2ccccc12.
What is the InChIKey of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide?
The InChIKey is CXGKCWZOCVZVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-33-27-22-13-7-6-12-21(22)25(29-30-27)20-14-15-24(31-16-8-3-9-17-31)23(18-20)28-26(32)19-10-4-2-5-11-19/h2,4-7,10-15,18H,3,8-9,16-17H2,1H3,(H,28,32).
What are the key properties of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide?
N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide has a molecular weight of 438.53 g/mol, XLogP of 5.55, 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]benzamide is sourced from PubChem (CID 6407400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).