2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide

C15H19N3O3 — CID 105352178

IUPAC2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(CN2C(=O)CCCC2=O)cc1
InChIInChI=1S/C15H19N3O3/c1-10(15(21)17-16)12-7-5-11(6-8-12)9-18-13(19)3-2-4-14(18)20/h5-8,10H,2-4,9,16H2,1H3,(H,17,21)
InChIKeyRCXYENCGEOLWNE-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.82
Rot. Bonds4

About 2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide

2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide (PubChem CID 105352178) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide
PubChem CID105352178
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(CN2C(=O)CCCC2=O)cc1
InChIInChI=1S/C15H19N3O3/c1-10(15(21)17-16)12-7-5-11(6-8-12)9-18-13(19)3-2-4-14(18)20/h5-8,10H,2-4,9,16H2,1H3,(H,17,21)
InChIKeyRCXYENCGEOLWNE-UHFFFAOYSA-N
XLogP0.82
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide
CID 105352128
2-[4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]phenyl]propanehydrazide
CID 105352291
2-[4-(1,4-diazepan-1-ylmethyl)phenyl]propanehydrazide
CID 105351905
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide
CID 105352208
2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanehydrazide
CID 105352171
2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide
CID 105352099
1-[(4-ethylphenyl)methyl]piperidine-2,6-dione
CID 82128665
2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-methylpropanamide
CID 35341089
2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide
CID 105352253
2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide
CID 105352360

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide?
The IUPAC name of 2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide (CID 105352178) is 2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide?
The canonical SMILES for 2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide is CC(C(=O)NN)c1ccc(CN2C(=O)CCCC2=O)cc1.
What is the InChIKey of 2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide?
The InChIKey is RCXYENCGEOLWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(15(21)17-16)12-7-5-11(6-8-12)9-18-13(19)3-2-4-14(18)20/h5-8,10H,2-4,9,16H2,1H3,(H,17,21).
What are the key properties of 2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide?
2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide has a molecular weight of 289.34 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide is sourced from PubChem (CID 105352178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).