1-(4-benzylpiperazin-1-yl)-2-phthalazin-1-yloxypropan-1-one

C22H24N4O2 — CID 6415258

IUPAC1-(4-benzylpiperazin-1-yl)-2-phthalazin-1-yloxypropan-1-one
SMILESCC(Oc1nncc2ccccc12)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c1-17(28-21-20-10-6-5-9-19(20)15-23-24-21)22(27)26-13-11-25(12-14-26)16-18-7-3-2-4-8-18/h2-10,15,17H,11-14,16H2,1H3
InChIKeyIWXCDUVCXRFEKK-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.74
Rot. Bonds5

About 1-(4-benzylpiperazin-1-yl)-2-phthalazin-1-yloxypropan-1-one

1-(4-benzylpiperazin-1-yl)-2-phthalazin-1-yloxypropan-1-one (PubChem CID 6415258) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-phthalazin-1-yloxypropan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-phthalazin-1-yloxypropan-1-one
PubChem CID6415258
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-phthalazin-1-yloxypropan-1-one
SMILESCC(Oc1nncc2ccccc12)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c1-17(28-21-20-10-6-5-9-19(20)15-23-24-21)22(27)26-13-11-25(12-14-26)16-18-7-3-2-4-8-18/h2-10,15,17H,11-14,16H2,1H3
InChIKeyIWXCDUVCXRFEKK-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-phthalazin-1-yloxypropan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-phthalazin-1-yloxypropan-1-one (CID 6415258) is 1-(4-benzylpiperazin-1-yl)-2-phthalazin-1-yloxypropan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-phthalazin-1-yloxypropan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-phthalazin-1-yloxypropan-1-one is CC(Oc1nncc2ccccc12)C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-phthalazin-1-yloxypropan-1-one?
The InChIKey is IWXCDUVCXRFEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-17(28-21-20-10-6-5-9-19(20)15-23-24-21)22(27)26-13-11-25(12-14-26)16-18-7-3-2-4-8-18/h2-10,15,17H,11-14,16H2,1H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-phthalazin-1-yloxypropan-1-one?
1-(4-benzylpiperazin-1-yl)-2-phthalazin-1-yloxypropan-1-one has a molecular weight of 376.46 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-phthalazin-1-yloxypropan-1-one is sourced from PubChem (CID 6415258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).