(3Z)-6-methyl-3-(phenylhydrazinylidene)piperidin-2-one

C12H15N3O — CID 6023659

IUPAC(3Z)-6-methyl-3-(phenylhydrazinylidene)piperidin-2-one
SMILESCC1CC/C(=N/Nc2ccccc2)C(=O)N1
InChIInChI=1S/C12H15N3O/c1-9-7-8-11(12(16)13-9)15-14-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H,13,16)/b15-11-
InChIKeyDUJNOMHGZFALMQ-PTNGSMBKSA-N
MW217.27 g/mol
LogP1.75
Rot. Bonds2

About (3Z)-6-methyl-3-(phenylhydrazinylidene)piperidin-2-one

(3Z)-6-methyl-3-(phenylhydrazinylidene)piperidin-2-one (PubChem CID 6023659) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (3Z)-6-methyl-3-(phenylhydrazinylidene)piperidin-2-one.

Molecular Properties

Compound Name(3Z)-6-methyl-3-(phenylhydrazinylidene)piperidin-2-one
PubChem CID6023659
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(3Z)-6-methyl-3-(phenylhydrazinylidene)piperidin-2-one
SMILESCC1CC/C(=N/Nc2ccccc2)C(=O)N1
InChIInChI=1S/C12H15N3O/c1-9-7-8-11(12(16)13-9)15-14-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H,13,16)/b15-11-
InChIKeyDUJNOMHGZFALMQ-PTNGSMBKSA-N
XLogP1.75
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 ≤ 51.75
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

(3E)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one
CID 5930260
6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 3469498
(3E)-3-[(2-methylphenyl)hydrazinylidene]piperidin-2-one
CID 5787482
3-[(2,5-Dimethyl-phenyl)-hydrazono]-piperidin-2-one
CID 5930359
3-[2-(2,5-Difluorophenyl)hydrazono]piperidin-2-one
CID 9580542
(3Z)-3-[(4-methylphenyl)hydrazinylidene]piperidin-2-one
CID 5457278
(3Z)-3-(phenylhydrazinylidene)piperidin-2-one
CID 6510230
(3Z)-3-[2-(4-fluorophenyl)hydrazin-1-ylidene]piperidin-2-one
CID 5524391
3-[2-(4-Methylphenyl)hydrazinylidene]piperidin-2-one
CID 571751
3-[2-(4-Fluorophenyl)hydrazin-1-ylidene]piperidin-2-one
CID 1479546
3-[(2,5-Difluorophenyl)hydrazinylidene]piperidin-2-one
CID 2740090
(3E)-3-(phenylhydrazinylidene)piperidin-2-one
CID 5375679

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-methyl-3-(phenylhydrazinylidene)piperidin-2-one?
The IUPAC name of (3Z)-6-methyl-3-(phenylhydrazinylidene)piperidin-2-one (CID 6023659) is (3Z)-6-methyl-3-(phenylhydrazinylidene)piperidin-2-one.
What is the SMILES notation for (3Z)-6-methyl-3-(phenylhydrazinylidene)piperidin-2-one?
The canonical SMILES for (3Z)-6-methyl-3-(phenylhydrazinylidene)piperidin-2-one is CC1CC/C(=N/Nc2ccccc2)C(=O)N1.
What is the InChIKey of (3Z)-6-methyl-3-(phenylhydrazinylidene)piperidin-2-one?
The InChIKey is DUJNOMHGZFALMQ-PTNGSMBKSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-7-8-11(12(16)13-9)15-14-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H,13,16)/b15-11-.
What are the key properties of (3Z)-6-methyl-3-(phenylhydrazinylidene)piperidin-2-one?
(3Z)-6-methyl-3-(phenylhydrazinylidene)piperidin-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-methyl-3-(phenylhydrazinylidene)piperidin-2-one is sourced from PubChem (CID 6023659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).