1-piperidin-1-yl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]ethanone

C26H30N4O2 — CID 661759

IUPAC1-piperidin-1-yl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]ethanone
SMILESO=C(COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1)N1CCCCC1
InChIInChI=1S/C26H30N4O2/c31-24(29-15-5-1-6-16-29)19-32-21-13-11-20(12-14-21)25-22-9-3-4-10-23(22)26(28-27-25)30-17-7-2-8-18-30/h3-4,9-14H,1-2,5-8,15-19H2
InChIKeyKNODQQRIIOFEJZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.68
Rot. Bonds5

About 1-piperidin-1-yl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]ethanone

1-piperidin-1-yl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]ethanone (PubChem CID 661759) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]ethanone
PubChem CID661759
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name1-piperidin-1-yl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]ethanone
SMILESO=C(COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1)N1CCCCC1
InChIInChI=1S/C26H30N4O2/c31-24(29-15-5-1-6-16-29)19-32-21-13-11-20(12-14-21)25-22-9-3-4-10-23(22)26(28-27-25)30-17-7-2-8-18-30/h3-4,9-14H,1-2,5-8,15-19H2
InChIKeyKNODQQRIIOFEJZ-UHFFFAOYSA-N
XLogP4.68
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-piperidin-1-yl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]ethanone with MolForge

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Related Compounds

2-p-Tolyloxy-1-[4-(4-p-tolyl-phthalazin-1-yl)-piperazin-1-yl]-ethanone
CID 6407401
2-Phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 662606
2-(4-Methoxyphenoxy)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 662795
N,N-diethyl-2-{4-[4-(piperidin-1-yl)phthalazin-1-yl]phenoxy}acetamide
CID 3246775
1-(4-Ethoxyphenyl)-4-(piperidin-1-yl)phthalazine
CID 6401112
2-(4-Nitrophenoxy)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 6404186
1-[4-[4-(4-Methylphenyl)phthalazin-1-yl]piperazin-1-yl]-2-phenoxyethanone
CID 6407344
4-[4-(4-Ethoxyphenyl)phthalazin-1-yl]morpholine
CID 6401111
1-(4-Methoxyphenyl)-4-(morpholin-4-yl)phthalazine
CID 6401297
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide
CID 7422442
N-(4-(6-morpholinopyridazin-3-yl)phenyl)-2-phenoxyacetamide
CID 7593312
(4-(4-(4-Methoxyphenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46891044

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]ethanone (CID 661759) is 1-piperidin-1-yl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]ethanone is O=C(COc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]ethanone?
The InChIKey is KNODQQRIIOFEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c31-24(29-15-5-1-6-16-29)19-32-21-13-11-20(12-14-21)25-22-9-3-4-10-23(22)26(28-27-25)30-17-7-2-8-18-30/h3-4,9-14H,1-2,5-8,15-19H2.
What are the key properties of 1-piperidin-1-yl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]ethanone?
1-piperidin-1-yl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]ethanone has a molecular weight of 430.55 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[4-(4-piperidin-1-ylphthalazin-1-yl)phenoxy]ethanone is sourced from PubChem (CID 661759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).