2-morpholin-4-yl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone

C24H27N5O2 — CID 2952305

IUPAC2-morpholin-4-yl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCOCC1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C24H27N5O2/c30-22(18-27-14-16-31-17-15-27)28-10-12-29(13-11-28)24-21-9-5-4-8-20(21)23(25-26-24)19-6-2-1-3-7-19/h1-9H,10-18H2
InChIKeyNTHHGWYJWMQMIF-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.28
Rot. Bonds4

About 2-morpholin-4-yl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone

2-morpholin-4-yl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone (PubChem CID 2952305) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
PubChem CID2952305
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-morpholin-4-yl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCOCC1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C24H27N5O2/c30-22(18-27-14-16-31-17-15-27)28-10-12-29(13-11-28)24-21-9-5-4-8-20(21)23(25-26-24)19-6-2-1-3-7-19/h1-9H,10-18H2
InChIKeyNTHHGWYJWMQMIF-UHFFFAOYSA-N
XLogP2.28
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone (CID 2952305) is 2-morpholin-4-yl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone is O=C(CN1CCOCC1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1.
What is the InChIKey of 2-morpholin-4-yl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone?
The InChIKey is NTHHGWYJWMQMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c30-22(18-27-14-16-31-17-15-27)28-10-12-29(13-11-28)24-21-9-5-4-8-20(21)23(25-26-24)19-6-2-1-3-7-19/h1-9H,10-18H2.
What are the key properties of 2-morpholin-4-yl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone?
2-morpholin-4-yl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone has a molecular weight of 417.51 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2952305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).