1-[(2Z)-3-oxo-3-phenyl-2-(phenylhydrazinylidene)propyl]piperidin-2-one

C20H21N3O2 — CID 101141559

IUPAC1-[(2Z)-3-oxo-3-phenyl-2-(phenylhydrazinylidene)propyl]piperidin-2-one
SMILESO=C(/C(CN1CCCCC1=O)=N\Nc1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N3O2/c24-19-13-7-8-14-23(19)15-18(20(25)16-9-3-1-4-10-16)22-21-17-11-5-2-6-12-17/h1-6,9-12,21H,7-8,13-15H2/b22-18-
InChIKeySWRCIAXYQSCANL-PYCFMQQDSA-N
MW335.41 g/mol
LogP3.35
Rot. Bonds6

About 1-[(2Z)-3-oxo-3-phenyl-2-(phenylhydrazinylidene)propyl]piperidin-2-one

1-[(2Z)-3-oxo-3-phenyl-2-(phenylhydrazinylidene)propyl]piperidin-2-one (PubChem CID 101141559) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[(2Z)-3-oxo-3-phenyl-2-(phenylhydrazinylidene)propyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2Z)-3-oxo-3-phenyl-2-(phenylhydrazinylidene)propyl]piperidin-2-one
PubChem CID101141559
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-[(2Z)-3-oxo-3-phenyl-2-(phenylhydrazinylidene)propyl]piperidin-2-one
SMILESO=C(/C(CN1CCCCC1=O)=N\Nc1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N3O2/c24-19-13-7-8-14-23(19)15-18(20(25)16-9-3-1-4-10-16)22-21-17-11-5-2-6-12-17/h1-6,9-12,21H,7-8,13-15H2/b22-18-
InChIKeySWRCIAXYQSCANL-PYCFMQQDSA-N
XLogP3.35
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
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'}

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Related Compounds

(2Z)-2-(methylhydrazinylidene)-1-phenyl-3-pyrrolidin-1-ylpropan-1-one
CID 101262047
1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione
CID 14228168
N-(2-amino-2-phenylethyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 119528982
N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 119528362
1-[2-(3-hydroxyphenyl)-2-oxoethyl]piperidin-2-one
CID 105492599
N-(3-carbamothioylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 28543386
4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488
N-[2-(2-oxopiperidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 110722740
dimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium
CID 9464030
(1-oxo-1-phenylpropan-2-yl) 2-(2-oxoazepan-1-yl)acetate
CID 55311890
1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 55408311
1-[2-(2-chlorophenyl)-2-oxoethyl]azepan-2-one
CID 62024083

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-3-oxo-3-phenyl-2-(phenylhydrazinylidene)propyl]piperidin-2-one?
The IUPAC name of 1-[(2Z)-3-oxo-3-phenyl-2-(phenylhydrazinylidene)propyl]piperidin-2-one (CID 101141559) is 1-[(2Z)-3-oxo-3-phenyl-2-(phenylhydrazinylidene)propyl]piperidin-2-one.
What is the SMILES notation for 1-[(2Z)-3-oxo-3-phenyl-2-(phenylhydrazinylidene)propyl]piperidin-2-one?
The canonical SMILES for 1-[(2Z)-3-oxo-3-phenyl-2-(phenylhydrazinylidene)propyl]piperidin-2-one is O=C(/C(CN1CCCCC1=O)=N\Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2Z)-3-oxo-3-phenyl-2-(phenylhydrazinylidene)propyl]piperidin-2-one?
The InChIKey is SWRCIAXYQSCANL-PYCFMQQDSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19-13-7-8-14-23(19)15-18(20(25)16-9-3-1-4-10-16)22-21-17-11-5-2-6-12-17/h1-6,9-12,21H,7-8,13-15H2/b22-18-.
What are the key properties of 1-[(2Z)-3-oxo-3-phenyl-2-(phenylhydrazinylidene)propyl]piperidin-2-one?
1-[(2Z)-3-oxo-3-phenyl-2-(phenylhydrazinylidene)propyl]piperidin-2-one has a molecular weight of 335.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-3-oxo-3-phenyl-2-(phenylhydrazinylidene)propyl]piperidin-2-one is sourced from PubChem (CID 101141559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).