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

C22H24N4O2 — CID 3155247

IUPACN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]acetamide
SMILESCOc1nnc(-c2ccc(N3CCCCC3)c(NC(C)=O)c2)c2ccccc12
InChIInChI=1S/C22H24N4O2/c1-15(27)23-19-14-16(10-11-20(19)26-12-6-3-7-13-26)21-17-8-4-5-9-18(17)22(28-2)25-24-21/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,23,27)
InChIKeyLQULJHQENOUPKY-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.25
Rot. Bonds4

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

N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]acetamide (PubChem CID 3155247) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]acetamide
PubChem CID3155247
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]acetamide
SMILESCOc1nnc(-c2ccc(N3CCCCC3)c(NC(C)=O)c2)c2ccccc12
InChIInChI=1S/C22H24N4O2/c1-15(27)23-19-14-16(10-11-20(19)26-12-6-3-7-13-26)21-17-8-4-5-9-18(17)22(28-2)25-24-21/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,23,27)
InChIKeyLQULJHQENOUPKY-UHFFFAOYSA-N
XLogP4.25
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.25
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-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-[5-(4-methoxy-1-phthalazinyl)-2-(4-morpholinyl)phenyl]-4-methylbenzamide
CID 2945880
N-[5-(4-methoxyphthalazin-1-yl)-2-(morpholin-4-yl)phenyl]propanamide
CID 662299
2-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]benzamide
CID 2953044
N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]benzamide
CID 6407400
N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]butanamide
CID 2953328
N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]-4-methylbenzamide
CID 6407054

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]acetamide?
The IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]acetamide (CID 3155247) is N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]acetamide.
What is the SMILES notation for N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]acetamide?
The canonical SMILES for N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]acetamide is COc1nnc(-c2ccc(N3CCCCC3)c(NC(C)=O)c2)c2ccccc12.
What is the InChIKey of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]acetamide?
The InChIKey is LQULJHQENOUPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15(27)23-19-14-16(10-11-20(19)26-12-6-3-7-13-26)21-17-8-4-5-9-18(17)22(28-2)25-24-21/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,23,27).
What are the key properties of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]acetamide?
N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 4.25, 4 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]acetamide is sourced from PubChem (CID 3155247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).