2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid

C15H19N3O3 — CID 5426518

IUPAC2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid
SMILESO=C(CN1CCCCC1)N/N=C\c1ccccc1C(=O)O
InChIInChI=1S/C15H19N3O3/c19-14(11-18-8-4-1-5-9-18)17-16-10-12-6-2-3-7-13(12)15(20)21/h2-3,6-7,10H,1,4-5,8-9,11H2,(H,17,19)(H,20,21)/b16-10-
InChIKeyZDYGFHSBHRVGEA-YBEGLDIGSA-N
MW289.33 g/mol
LogP1.32
Rot. Bonds5

About 2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid

2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid (PubChem CID 5426518) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid
PubChem CID5426518
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid
SMILESO=C(CN1CCCCC1)N/N=C\c1ccccc1C(=O)O
InChIInChI=1S/C15H19N3O3/c19-14(11-18-8-4-1-5-9-18)17-16-10-12-6-2-3-7-13(12)15(20)21/h2-3,6-7,10H,1,4-5,8-9,11H2,(H,17,19)(H,20,21)/b16-10-
InChIKeyZDYGFHSBHRVGEA-YBEGLDIGSA-N
XLogP1.32
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.32
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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Related Compounds

2-[(Z)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]benzoic acid
CID 5426552
2-[(E)-[[2-(4-benzylpiperazin-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 6865035
2-(azepan-1-yl)-N-[(E)-(2-bromophenyl)methylideneamino]acetamide
CID 6894512
2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 786240
2-[(E)-[[5-[(2Z)-2-[(2-carboxyphenyl)methylidene]hydrazinyl]-5-oxopentanoyl]hydrazinylidene]methyl]benzoic acid
CID 6861545
2-[[[5-[(2Z)-2-[(2-carboxyphenyl)methylidene]hydrazinyl]-5-oxopentanoyl]hydrazinylidene]methyl]benzoic acid
CID 5380791
N-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-piperidin-1-ylacetamide
CID 92850907
2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 5331773
2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid
CID 26871360
N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide
CID 682337
2-[(E)-[[2-(4-methylphenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
CID 19208852
2-[(Z)-[[2-(benzotriazol-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 6115175

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid (CID 5426518) is 2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid is O=C(CN1CCCCC1)N/N=C\c1ccccc1C(=O)O.
What is the InChIKey of 2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid?
The InChIKey is ZDYGFHSBHRVGEA-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-14(11-18-8-4-1-5-9-18)17-16-10-12-6-2-3-7-13(12)15(20)21/h2-3,6-7,10H,1,4-5,8-9,11H2,(H,17,19)(H,20,21)/b16-10-.
What are the key properties of 2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid?
2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid has a molecular weight of 289.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 5426518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).