3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one

C12H15N3O — CID 571751

IUPAC3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one
SMILESCc1ccc(NN=C2CCCNC2=O)cc1
InChIInChI=1S/C12H15N3O/c1-9-4-6-10(7-5-9)14-15-11-3-2-8-13-12(11)16/h4-7,14H,2-3,8H2,1H3,(H,13,16)
InChIKeyBWCYYCWSCABXGH-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.67
Rot. Bonds2

About 3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one

3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one (PubChem CID 571751) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one.

Molecular Properties

Compound Name3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one
PubChem CID571751
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one
SMILESCc1ccc(NN=C2CCCNC2=O)cc1
InChIInChI=1S/C12H15N3O/c1-9-4-6-10(7-5-9)14-15-11-3-2-8-13-12(11)16/h4-7,14H,2-3,8H2,1H3,(H,13,16)
InChIKeyBWCYYCWSCABXGH-UHFFFAOYSA-N
XLogP1.67
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-Acetylphenyl)hydrazono]piperidin-2-one
CID 9580543
(3E)-3-[(2-methylphenyl)hydrazinylidene]piperidin-2-one
CID 5787482
3-[(2,5-Dimethyl-phenyl)-hydrazono]-piperidin-2-one
CID 5930359
N-[4-[(E)-2-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)ethenyl]phenyl]acetamide
CID 13854249
3-[2-(2,5-Difluorophenyl)hydrazono]piperidin-2-one
CID 9580542
(3Z)-6-methylpiperidine-2,3-dione 3-(phenylhydrazone)
CID 6023659
N'-{1-[4-(1-piperidinyl)phenyl]ethylidene}hexanohydrazide
CID 9654636
N-(3-fluoro-4-methylphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide
CID 2814948
(3Z)-3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one
CID 5457278
(R)-6-(4-(ethylamino)phenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one
CID 71576767
(3Z)-3-(phenylhydrazinylidene)piperidin-2-one
CID 6510230
(3Z)-3-[2-(4-fluorophenyl)hydrazin-1-ylidene]piperidin-2-one
CID 5524391

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one?
The IUPAC name of 3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one (CID 571751) is 3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one.
What is the SMILES notation for 3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one?
The canonical SMILES for 3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one is Cc1ccc(NN=C2CCCNC2=O)cc1.
What is the InChIKey of 3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one?
The InChIKey is BWCYYCWSCABXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-4-6-10(7-5-9)14-15-11-3-2-8-13-12(11)16/h4-7,14H,2-3,8H2,1H3,(H,13,16).
What are the key properties of 3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one?
3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one is sourced from PubChem (CID 571751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).