(5R)-3-[(4-methoxyphenyl)hydrazinylidene]-5-methylpiperidin-2-one

C13H17N3O2 — CID 139711863

IUPAC(5R)-3-[(4-methoxyphenyl)hydrazinylidene]-5-methylpiperidin-2-one
SMILESCOc1ccc(NN=C2C[C@@H](C)CNC2=O)cc1
InChIInChI=1S/C13H17N3O2/c1-9-7-12(13(17)14-8-9)16-15-10-3-5-11(18-2)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H,14,17)/t9-/m1/s1
InChIKeyQWQNZPZHAOGDGW-SECBINFHSA-N
MW247.30 g/mol
LogP1.62
Rot. Bonds3

About (5R)-3-[(4-methoxyphenyl)hydrazinylidene]-5-methylpiperidin-2-one

(5R)-3-[(4-methoxyphenyl)hydrazinylidene]-5-methylpiperidin-2-one (PubChem CID 139711863) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (5R)-3-[(4-methoxyphenyl)hydrazinylidene]-5-methylpiperidin-2-one.

Molecular Properties

Compound Name(5R)-3-[(4-methoxyphenyl)hydrazinylidene]-5-methylpiperidin-2-one
PubChem CID139711863
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(5R)-3-[(4-methoxyphenyl)hydrazinylidene]-5-methylpiperidin-2-one
SMILESCOc1ccc(NN=C2C[C@@H](C)CNC2=O)cc1
InChIInChI=1S/C13H17N3O2/c1-9-7-12(13(17)14-8-9)16-15-10-3-5-11(18-2)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H,14,17)/t9-/m1/s1
InChIKeyQWQNZPZHAOGDGW-SECBINFHSA-N
XLogP1.62
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(4-methoxyphenyl)hydrazinylidene]-5-methylpiperidin-2-one?
The IUPAC name of (5R)-3-[(4-methoxyphenyl)hydrazinylidene]-5-methylpiperidin-2-one (CID 139711863) is (5R)-3-[(4-methoxyphenyl)hydrazinylidene]-5-methylpiperidin-2-one.
What is the SMILES notation for (5R)-3-[(4-methoxyphenyl)hydrazinylidene]-5-methylpiperidin-2-one?
The canonical SMILES for (5R)-3-[(4-methoxyphenyl)hydrazinylidene]-5-methylpiperidin-2-one is COc1ccc(NN=C2C[C@@H](C)CNC2=O)cc1.
What is the InChIKey of (5R)-3-[(4-methoxyphenyl)hydrazinylidene]-5-methylpiperidin-2-one?
The InChIKey is QWQNZPZHAOGDGW-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-7-12(13(17)14-8-9)16-15-10-3-5-11(18-2)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H,14,17)/t9-/m1/s1.
What are the key properties of (5R)-3-[(4-methoxyphenyl)hydrazinylidene]-5-methylpiperidin-2-one?
(5R)-3-[(4-methoxyphenyl)hydrazinylidene]-5-methylpiperidin-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(4-methoxyphenyl)hydrazinylidene]-5-methylpiperidin-2-one is sourced from PubChem (CID 139711863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).