[4-[cyclohexa-1,3-dien-1-yl(phenyl)methyl]piperazin-1-yl]-pyridazin-4-ylmethanone

C22H24N4O — CID 174337384

IUPAC[4-[cyclohexa-1,3-dien-1-yl(phenyl)methyl]piperazin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCN(C(C2=CC=CCC2)c2ccccc2)CC1
InChIInChI=1S/C22H24N4O/c27-22(20-11-12-23-24-17-20)26-15-13-25(14-16-26)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-5,7-9,11-12,17,21H,6,10,13-16H2
InChIKeyGDWBXIBHDYNNOK-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.25
Rot. Bonds4

About [4-[cyclohexa-1,3-dien-1-yl(phenyl)methyl]piperazin-1-yl]-pyridazin-4-ylmethanone

[4-[cyclohexa-1,3-dien-1-yl(phenyl)methyl]piperazin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 174337384) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [4-[cyclohexa-1,3-dien-1-yl(phenyl)methyl]piperazin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[4-[cyclohexa-1,3-dien-1-yl(phenyl)methyl]piperazin-1-yl]-pyridazin-4-ylmethanone
PubChem CID174337384
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name[4-[cyclohexa-1,3-dien-1-yl(phenyl)methyl]piperazin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCN(C(C2=CC=CCC2)c2ccccc2)CC1
InChIInChI=1S/C22H24N4O/c27-22(20-11-12-23-24-17-20)26-15-13-25(14-16-26)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-5,7-9,11-12,17,21H,6,10,13-16H2
InChIKeyGDWBXIBHDYNNOK-UHFFFAOYSA-N
XLogP3.25
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[cyclohexa-1,3-dien-1-yl(phenyl)methyl]piperazin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 171797544
[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 166114858
(4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 9041268
(5-amino-3-pyridinyl)-(4-benzhydrylpiperazin-1-yl)methanone;methanol
CID 171797770
(4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone
CID 9337084
(4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone
CID 60582399
(4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone
CID 9337064
2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone
CID 136517874
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide
CID 10158784
[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(6-fluoro-3-pyridinyl)methanone
CID 166403271

Frequently Asked Questions

What is the IUPAC name of [4-[cyclohexa-1,3-dien-1-yl(phenyl)methyl]piperazin-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [4-[cyclohexa-1,3-dien-1-yl(phenyl)methyl]piperazin-1-yl]-pyridazin-4-ylmethanone (CID 174337384) is [4-[cyclohexa-1,3-dien-1-yl(phenyl)methyl]piperazin-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [4-[cyclohexa-1,3-dien-1-yl(phenyl)methyl]piperazin-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [4-[cyclohexa-1,3-dien-1-yl(phenyl)methyl]piperazin-1-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CCN(C(C2=CC=CCC2)c2ccccc2)CC1.
What is the InChIKey of [4-[cyclohexa-1,3-dien-1-yl(phenyl)methyl]piperazin-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is GDWBXIBHDYNNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(20-11-12-23-24-17-20)26-15-13-25(14-16-26)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-5,7-9,11-12,17,21H,6,10,13-16H2.
What are the key properties of [4-[cyclohexa-1,3-dien-1-yl(phenyl)methyl]piperazin-1-yl]-pyridazin-4-ylmethanone?
[4-[cyclohexa-1,3-dien-1-yl(phenyl)methyl]piperazin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 360.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclohexa-1,3-dien-1-yl(phenyl)methyl]piperazin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 174337384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).