(3R,5S)-5-[(2E)-2-[[2-(2-methylphenyl)phenyl]methylidene]hydrazinyl]piperidine-3-carboxylic acid

C20H23N3O2 — CID 155519580

IUPAC(3R,5S)-5-[(2E)-2-[[2-(2-methylphenyl)phenyl]methylidene]hydrazinyl]piperidine-3-carboxylic acid
SMILESCc1ccccc1-c1ccccc1/C=N/N[C@@H]1CNC[C@H](C(=O)O)C1
InChIInChI=1S/C20H23N3O2/c1-14-6-2-4-8-18(14)19-9-5-3-7-15(19)12-22-23-17-10-16(20(24)25)11-21-13-17/h2-9,12,16-17,21,23H,10-11,13H2,1H3,(H,24,25)/b22-12+/t16-,17+/m1/s1
InChIKeyOAVZJQPWEUERJC-BYVAVYOLSA-N
MW337.42 g/mol
LogP2.65
Rot. Bonds5

About (3R,5S)-5-[(2E)-2-[[2-(2-methylphenyl)phenyl]methylidene]hydrazinyl]piperidine-3-carboxylic acid

(3R,5S)-5-[(2E)-2-[[2-(2-methylphenyl)phenyl]methylidene]hydrazinyl]piperidine-3-carboxylic acid (PubChem CID 155519580) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3R,5S)-5-[(2E)-2-[[2-(2-methylphenyl)phenyl]methylidene]hydrazinyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,5S)-5-[(2E)-2-[[2-(2-methylphenyl)phenyl]methylidene]hydrazinyl]piperidine-3-carboxylic acid
PubChem CID155519580
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(3R,5S)-5-[(2E)-2-[[2-(2-methylphenyl)phenyl]methylidene]hydrazinyl]piperidine-3-carboxylic acid
SMILESCc1ccccc1-c1ccccc1/C=N/N[C@@H]1CNC[C@H](C(=O)O)C1
InChIInChI=1S/C20H23N3O2/c1-14-6-2-4-8-18(14)19-9-5-3-7-15(19)12-22-23-17-10-16(20(24)25)11-21-13-17/h2-9,12,16-17,21,23H,10-11,13H2,1H3,(H,24,25)/b22-12+/t16-,17+/m1/s1
InChIKeyOAVZJQPWEUERJC-BYVAVYOLSA-N
XLogP2.65
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.65
H-Bond Donors ≤ 53
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 (3R,5S)-5-[(2E)-2-[[2-(2-methylphenyl)phenyl]methylidene]hydrazinyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R,5S)-5-[(2E)-2-[[2-(2-methylphenyl)phenyl]methylidene]hydrazinyl]piperidine-3-carboxylic acid (CID 155519580) is (3R,5S)-5-[(2E)-2-[[2-(2-methylphenyl)phenyl]methylidene]hydrazinyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,5S)-5-[(2E)-2-[[2-(2-methylphenyl)phenyl]methylidene]hydrazinyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R,5S)-5-[(2E)-2-[[2-(2-methylphenyl)phenyl]methylidene]hydrazinyl]piperidine-3-carboxylic acid is Cc1ccccc1-c1ccccc1/C=N/N[C@@H]1CNC[C@H](C(=O)O)C1.
What is the InChIKey of (3R,5S)-5-[(2E)-2-[[2-(2-methylphenyl)phenyl]methylidene]hydrazinyl]piperidine-3-carboxylic acid?
The InChIKey is OAVZJQPWEUERJC-BYVAVYOLSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-6-2-4-8-18(14)19-9-5-3-7-15(19)12-22-23-17-10-16(20(24)25)11-21-13-17/h2-9,12,16-17,21,23H,10-11,13H2,1H3,(H,24,25)/b22-12+/t16-,17+/m1/s1.
What are the key properties of (3R,5S)-5-[(2E)-2-[[2-(2-methylphenyl)phenyl]methylidene]hydrazinyl]piperidine-3-carboxylic acid?
(3R,5S)-5-[(2E)-2-[[2-(2-methylphenyl)phenyl]methylidene]hydrazinyl]piperidine-3-carboxylic acid has a molecular weight of 337.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[(2E)-2-[[2-(2-methylphenyl)phenyl]methylidene]hydrazinyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 155519580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).