N'-(1,3-benzodioxole-5-carbonyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide

C22H23N3O6 — CID 55631373

IUPACN'-(1,3-benzodioxole-5-carbonyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H23N3O6/c26-20(13-29-17-4-2-1-3-5-17)25-10-8-15(9-11-25)21(27)23-24-22(28)16-6-7-18-19(12-16)31-14-30-18/h1-7,12,15H,8-11,13-14H2,(H,23,27)(H,24,28)
InChIKeyWQUQVFDGTYCJMY-UHFFFAOYSA-N
MW425.44 g/mol
LogP1.49
Rot. Bonds5

About N'-(1,3-benzodioxole-5-carbonyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide

N'-(1,3-benzodioxole-5-carbonyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide (PubChem CID 55631373) has the molecular formula C22H23N3O6 and a molecular weight of 425.44 g/mol. Its IUPAC name is N'-(1,3-benzodioxole-5-carbonyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(1,3-benzodioxole-5-carbonyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide
PubChem CID55631373
Molecular FormulaC22H23N3O6
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC NameN'-(1,3-benzodioxole-5-carbonyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H23N3O6/c26-20(13-29-17-4-2-1-3-5-17)25-10-8-15(9-11-25)21(27)23-24-22(28)16-6-7-18-19(12-16)31-14-30-18/h1-7,12,15H,8-11,13-14H2,(H,23,27)(H,24,28)
InChIKeyWQUQVFDGTYCJMY-UHFFFAOYSA-N
XLogP1.49
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 36886354
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557321
N'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide
CID 55634294
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide
CID 992710
1-(2-phenoxyacetyl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide
CID 55634767
N-(1,3-benzodioxol-5-yl)-1-[2-(2-chlorophenoxy)acetyl]piperidine-4-carboxamide
CID 17466076
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenoxyethanone
CID 1112885
methyl 1-[2-(1,3-benzodioxole-5-carbonyloxy)acetyl]piperidine-4-carboxylate
CID 8012185
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
2-(1,3-benzodioxol-5-yloxy)-1-pyrrolidin-1-ylethanone
CID 6458739
N-(1,3-benzodioxol-5-yl)-1-[2-(2,6-dichlorophenoxy)acetyl]piperidine-4-carboxamide
CID 17474650
2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide
CID 55635239

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxole-5-carbonyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide?
The IUPAC name of N'-(1,3-benzodioxole-5-carbonyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide (CID 55631373) is N'-(1,3-benzodioxole-5-carbonyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide.
What is the SMILES notation for N'-(1,3-benzodioxole-5-carbonyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide?
The canonical SMILES for N'-(1,3-benzodioxole-5-carbonyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide is O=C(NNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-(1,3-benzodioxole-5-carbonyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide?
The InChIKey is WQUQVFDGTYCJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6/c26-20(13-29-17-4-2-1-3-5-17)25-10-8-15(9-11-25)21(27)23-24-22(28)16-6-7-18-19(12-16)31-14-30-18/h1-7,12,15H,8-11,13-14H2,(H,23,27)(H,24,28).
What are the key properties of N'-(1,3-benzodioxole-5-carbonyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide?
N'-(1,3-benzodioxole-5-carbonyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide has a molecular weight of 425.44 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxole-5-carbonyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 55631373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).