[4-[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]piperazin-1-yl]-pyridazin-3-ylmethanone

C22H26N4O — CID 174335677

IUPAC[4-[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]piperazin-1-yl]-pyridazin-3-ylmethanone
SMILESC/C=C\C(=C/C)C(c1ccccc1)N1CCN(C(=O)c2cccnn2)CC1
InChIInChI=1S/C22H26N4O/c1-3-9-18(4-2)21(19-10-6-5-7-11-19)25-14-16-26(17-15-25)22(27)20-12-8-13-23-24-20/h3-13,21H,14-17H2,1-2H3/b9-3-,18-4+
InChIKeyHQZKFWAVOKGORY-ARTXGEKBSA-N
MW362.48 g/mol
LogP3.50
Rot. Bonds5

About [4-[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]piperazin-1-yl]-pyridazin-3-ylmethanone

[4-[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]piperazin-1-yl]-pyridazin-3-ylmethanone (PubChem CID 174335677) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is [4-[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]piperazin-1-yl]-pyridazin-3-ylmethanone.

Molecular Properties

Compound Name[4-[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]piperazin-1-yl]-pyridazin-3-ylmethanone
PubChem CID174335677
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name[4-[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]piperazin-1-yl]-pyridazin-3-ylmethanone
SMILESC/C=C\C(=C/C)C(c1ccccc1)N1CCN(C(=O)c2cccnn2)CC1
InChIInChI=1S/C22H26N4O/c1-3-9-18(4-2)21(19-10-6-5-7-11-19)25-14-16-26(17-15-25)22(27)20-12-8-13-23-24-20/h3-13,21H,14-17H2,1-2H3/b9-3-,18-4+
InChIKeyHQZKFWAVOKGORY-ARTXGEKBSA-N
XLogP3.50
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [4-[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]piperazin-1-yl]-pyridazin-3-ylmethanone with MolForge

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Related Compounds

(4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone
CID 126857128
[4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone
CID 70707188
1-[4-[(Z,2E)-2-ethylidene-1-(4-fluorophenyl)pent-3-enyl]piperazin-1-yl]-2-[methyl-[(1S)-1-phenylethyl]amino]ethanone
CID 59105260
2-(dibenzylamino)-1-[4-[2-ethylidene-1-(4-fluorophenyl)pent-3-enyl]piperazin-1-yl]ethanone
CID 72518146
pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855018
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 51297445
2-ethyl-4-phenyl-9-(pyridazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72887510
(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 34955258
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(pyridazin-3-yl)methanone
CID 57299286
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 46568132
[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone
CID 166364630

Frequently Asked Questions

What is the IUPAC name of [4-[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]piperazin-1-yl]-pyridazin-3-ylmethanone?
The IUPAC name of [4-[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]piperazin-1-yl]-pyridazin-3-ylmethanone (CID 174335677) is [4-[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]piperazin-1-yl]-pyridazin-3-ylmethanone.
What is the SMILES notation for [4-[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]piperazin-1-yl]-pyridazin-3-ylmethanone?
The canonical SMILES for [4-[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]piperazin-1-yl]-pyridazin-3-ylmethanone is C/C=C\C(=C/C)C(c1ccccc1)N1CCN(C(=O)c2cccnn2)CC1.
What is the InChIKey of [4-[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]piperazin-1-yl]-pyridazin-3-ylmethanone?
The InChIKey is HQZKFWAVOKGORY-ARTXGEKBSA-N. The full InChI is InChI=1S/C22H26N4O/c1-3-9-18(4-2)21(19-10-6-5-7-11-19)25-14-16-26(17-15-25)22(27)20-12-8-13-23-24-20/h3-13,21H,14-17H2,1-2H3/b9-3-,18-4+.
What are the key properties of [4-[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]piperazin-1-yl]-pyridazin-3-ylmethanone?
[4-[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]piperazin-1-yl]-pyridazin-3-ylmethanone has a molecular weight of 362.48 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]piperazin-1-yl]-pyridazin-3-ylmethanone is sourced from PubChem (CID 174335677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).