cyclohexyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone

C25H28N4O — CID 2953176

IUPACcyclohexyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C25H28N4O/c30-25(20-11-5-2-6-12-20)29-17-15-28(16-18-29)24-22-14-8-7-13-21(22)23(26-27-24)19-9-3-1-4-10-19/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-18H2
InChIKeyFHJQFBWRTXBDGL-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.53
Rot. Bonds3

About cyclohexyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone

cyclohexyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone (PubChem CID 2953176) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is cyclohexyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
PubChem CID2953176
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Namecyclohexyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C25H28N4O/c30-25(20-11-5-2-6-12-20)29-17-15-28(16-18-29)24-22-14-8-7-13-21(22)23(26-27-24)19-9-3-1-4-10-19/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-18H2
InChIKeyFHJQFBWRTXBDGL-UHFFFAOYSA-N
XLogP4.53
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-Phenylphthalazin-1-yl)piperazin-1-yl]ethanol
CID 3155245
1-Benzyl-4-(4-phenylpiperazin-1-yl)phthalazine
CID 6404568
(R)-(3-methyl-4-(4-(4-(trifluoromethyl)phenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 25255940
(R)-(4-(4-(4-chlorophenyl)phthalazin-1-yl)-3-methylpiperazin-1-yl)(phenyl)methanone
CID 46891199
(R)-(3-methyl-4-(4-p-tolylphthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46891200
1-[4-(4-Phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 2953198
1-[4-[4-(4-Methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone
CID 2952514
1-[4-(4-Morpholinylacetyl)-1-piperazinyl]-4-phenylphthalazine
CID 2952305
Phenyl(4-(4-phenylphthalazin-1-yl)piperazin-1-yl)methanone
CID 6407374
1-[4-(4-Phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one
CID 2952822
1-(4-Fluorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine
CID 6408839
1-methyl-3-{2-oxo-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethyl}-1,3-dihydro-2H-benzimidazol-2-one
CID 665100

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone (CID 2953176) is cyclohexyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone is O=C(C1CCCCC1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1.
What is the InChIKey of cyclohexyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone?
The InChIKey is FHJQFBWRTXBDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c30-25(20-11-5-2-6-12-20)29-17-15-28(16-18-29)24-22-14-8-7-13-21(22)23(26-27-24)19-9-3-1-4-10-19/h1,3-4,7-10,13-14,20H,2,5-6,11-12,15-18H2.
What are the key properties of cyclohexyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone?
cyclohexyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone has a molecular weight of 400.53 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 2953176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).