N-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylacetohydrazide

C14H19N3O3 — CID 143841802

IUPACN-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylacetohydrazide
SMILESCC(=O)N(N)c1ccc2c(c1)COC1(CCNCC1)O2
InChIInChI=1S/C14H19N3O3/c1-10(18)17(15)12-2-3-13-11(8-12)9-19-14(20-13)4-6-16-7-5-14/h2-3,8,16H,4-7,9,15H2,1H3
InChIKeyFLKXPFWJHHYIIT-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.90
Rot. Bonds1

About N-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylacetohydrazide

N-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylacetohydrazide (PubChem CID 143841802) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylacetohydrazide.

Molecular Properties

Compound NameN-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylacetohydrazide
PubChem CID143841802
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylacetohydrazide
SMILESCC(=O)N(N)c1ccc2c(c1)COC1(CCNCC1)O2
InChIInChI=1S/C14H19N3O3/c1-10(18)17(15)12-2-3-13-11(8-12)9-19-14(20-13)4-6-16-7-5-14/h2-3,8,16H,4-7,9,15H2,1H3
InChIKeyFLKXPFWJHHYIIT-UHFFFAOYSA-N
XLogP0.90
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 115062790
6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 11368068
spiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 10845905
7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 10850583
[acetyloxy(spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-6-yl)silyl] acetate
CID 164815734
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)propanamide
CID 11656526
1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone
CID 126473308
2-(2,7-dimethyl-1H-indol-3-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide
CID 58711792
2-(2-methylbenzimidazol-1-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide
CID 11503708
N-(3-bromo-4-methylphenyl)acetohydrazide
CID 82293551
1-(6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone
CID 126472139
6-bromo-3',3'-dimethylspiro[4H-1,3-benzodioxine-2,1'-cyclohexane]
CID 10710133

Frequently Asked Questions

What is the IUPAC name of N-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylacetohydrazide?
The IUPAC name of N-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylacetohydrazide (CID 143841802) is N-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylacetohydrazide.
What is the SMILES notation for N-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylacetohydrazide?
The canonical SMILES for N-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylacetohydrazide is CC(=O)N(N)c1ccc2c(c1)COC1(CCNCC1)O2.
What is the InChIKey of N-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylacetohydrazide?
The InChIKey is FLKXPFWJHHYIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(18)17(15)12-2-3-13-11(8-12)9-19-14(20-13)4-6-16-7-5-14/h2-3,8,16H,4-7,9,15H2,1H3.
What are the key properties of N-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylacetohydrazide?
N-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylacetohydrazide has a molecular weight of 277.32 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylacetohydrazide is sourced from PubChem (CID 143841802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).