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

C28H28N4O3 — CID 6407378

IUPACN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-2-phenoxyacetamide
SMILESCOc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)COc3ccccc3)c2)c2ccccc12
InChIInChI=1S/C28H28N4O3/c1-34-28-23-13-7-6-12-22(23)27(30-31-28)20-14-15-25(32-16-8-3-9-17-32)24(18-20)29-26(33)19-35-21-10-4-2-5-11-21/h2,4-7,10-15,18H,3,8-9,16-17,19H2,1H3,(H,29,33)
InChIKeyKDVJOHFGUWDZLO-UHFFFAOYSA-N
MW468.56 g/mol
LogP5.31
Rot. Bonds7

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

N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-2-phenoxyacetamide (PubChem CID 6407378) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-2-phenoxyacetamide
PubChem CID6407378
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC NameN-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-2-phenoxyacetamide
SMILESCOc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)COc3ccccc3)c2)c2ccccc12
InChIInChI=1S/C28H28N4O3/c1-34-28-23-13-7-6-12-22(23)27(30-31-28)20-14-15-25(32-16-8-3-9-17-32)24(18-20)29-26(33)19-35-21-10-4-2-5-11-21/h2,4-7,10-15,18H,3,8-9,16-17,19H2,1H3,(H,29,33)
InChIKeyKDVJOHFGUWDZLO-UHFFFAOYSA-N
XLogP5.31
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-2-phenoxyacetamide?
The IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-2-phenoxyacetamide (CID 6407378) is N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-2-phenoxyacetamide is COc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)COc3ccccc3)c2)c2ccccc12.
What is the InChIKey of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-2-phenoxyacetamide?
The InChIKey is KDVJOHFGUWDZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-34-28-23-13-7-6-12-22(23)27(30-31-28)20-14-15-25(32-16-8-3-9-17-32)24(18-20)29-26(33)19-35-21-10-4-2-5-11-21/h2,4-7,10-15,18H,3,8-9,16-17,19H2,1H3,(H,29,33).
What are the key properties of N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-2-phenoxyacetamide?
N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-2-phenoxyacetamide has a molecular weight of 468.56 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-2-phenoxyacetamide is sourced from PubChem (CID 6407378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).