1-[4-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]piperidin-1-yl]propan-1-one

C22H23N3O2 — CID 49147402

IUPAC1-[4-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(=N/N=C(/C(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c1-2-20(26)25-15-13-19(14-16-25)23-24-21(17-9-5-3-6-10-17)22(27)18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3/b24-21+
InChIKeyXVBHWJDXQITZSL-DARPEHSRSA-N
MW361.44 g/mol
LogP3.75
Rot. Bonds5

About 1-[4-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]piperidin-1-yl]propan-1-one

1-[4-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]piperidin-1-yl]propan-1-one (PubChem CID 49147402) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-[4-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]piperidin-1-yl]propan-1-one
PubChem CID49147402
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name1-[4-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(=N/N=C(/C(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c1-2-20(26)25-15-13-19(14-16-25)23-24-21(17-9-5-3-6-10-17)22(27)18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3/b24-21+
InChIKeyXVBHWJDXQITZSL-DARPEHSRSA-N
XLogP3.75
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
ethyl N-ethoxycarbonyl-N-[(E)-(2-oxo-1,2-diphenylethylidene)amino]carbamate
CID 102404707
1-methyl-3-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]indol-2-one
CID 2531014
phenyl 4-propanoylpiperazine-1-carboxylate
CID 46228295
1-propanoylazepan-4-one
CID 18675736
2-propanoyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104557204
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 64591824
1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 110873765
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 3524909
1-(3-phenylimidazolidin-1-yl)propan-1-one
CID 102279123
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]piperidin-1-yl]propan-1-one (CID 49147402) is 1-[4-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(=N/N=C(/C(=O)c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]piperidin-1-yl]propan-1-one?
The InChIKey is XVBHWJDXQITZSL-DARPEHSRSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-20(26)25-15-13-19(14-16-25)23-24-21(17-9-5-3-6-10-17)22(27)18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3/b24-21+.
What are the key properties of 1-[4-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]piperidin-1-yl]propan-1-one?
1-[4-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]piperidin-1-yl]propan-1-one has a molecular weight of 361.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 49147402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).