ethyl (3R)-1-[2-[(2-benzylidenecyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate

C23H32N2O3 — CID 54561569

IUPACethyl (3R)-1-[2-[(2-benzylidenecyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CCON=C2CCCCC2=Cc2ccccc2)C1
InChIInChI=1S/C23H32N2O3/c1-2-27-23(26)21-12-8-14-25(18-21)15-16-28-24-22-13-7-6-11-20(22)17-19-9-4-3-5-10-19/h3-5,9-10,17,21H,2,6-8,11-16,18H2,1H3/t21-/m1/s1
InChIKeyZQXJFTCVECLRCZ-OAQYLSRUSA-N
MW384.52 g/mol
LogP4.29
Rot. Bonds7

About ethyl (3R)-1-[2-[(2-benzylidenecyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate

ethyl (3R)-1-[2-[(2-benzylidenecyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate (PubChem CID 54561569) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is ethyl (3R)-1-[2-[(2-benzylidenecyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[2-[(2-benzylidenecyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate
PubChem CID54561569
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Nameethyl (3R)-1-[2-[(2-benzylidenecyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CCON=C2CCCCC2=Cc2ccccc2)C1
InChIInChI=1S/C23H32N2O3/c1-2-27-23(26)21-12-8-14-25(18-21)15-16-28-24-22-13-7-6-11-20(22)17-19-9-4-3-5-10-19/h3-5,9-10,17,21H,2,6-8,11-16,18H2,1H3/t21-/m1/s1
InChIKeyZQXJFTCVECLRCZ-OAQYLSRUSA-N
XLogP4.29
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[2-[(2-phenylcyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate
CID 173328439
ethyl 1-[2-[(2-phenylcyclohex-2-en-1-ylidene)amino]oxyethyl]piperidine-3-carboxylate
CID 173328413
ethyl (3R)-1-[2-[(2-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]oxyethyl]piperidine-3-carboxylate
CID 54388268
ethyl (3R)-1-[2-[(Z)-(2-methylphenyl)methylideneamino]oxyethyl]piperidine-3-carboxylate
CID 131719893
ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate
CID 6459024
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
ethyl 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]piperidine-3-carboxylate
CID 67767181
ethyl 1-[2-(4-prop-2-enoxyphenoxy)ethyl]piperidine-3-carboxylate;hydrochloride
CID 6460264
ethyl (3S)-1-[2-(3-chlorophenoxy)ethyl]piperidine-3-carboxylate
CID 27186879
ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride
CID 6603291
ethyl (3R)-1-[2-[bis(3-ethylthiophen-2-yl)methylideneamino]oxyethyl]piperidine-3-carboxylate
CID 10838603
ethyl (3R)-1-[3-(4-phenylmethoxyphenoxy)propyl]piperidine-3-carboxylate
CID 40800660

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[2-[(2-benzylidenecyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[2-[(2-benzylidenecyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate (CID 54561569) is ethyl (3R)-1-[2-[(2-benzylidenecyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[2-[(2-benzylidenecyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[2-[(2-benzylidenecyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(CCON=C2CCCCC2=Cc2ccccc2)C1.
What is the InChIKey of ethyl (3R)-1-[2-[(2-benzylidenecyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate?
The InChIKey is ZQXJFTCVECLRCZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-2-27-23(26)21-12-8-14-25(18-21)15-16-28-24-22-13-7-6-11-20(22)17-19-9-4-3-5-10-19/h3-5,9-10,17,21H,2,6-8,11-16,18H2,1H3/t21-/m1/s1.
What are the key properties of ethyl (3R)-1-[2-[(2-benzylidenecyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate?
ethyl (3R)-1-[2-[(2-benzylidenecyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate has a molecular weight of 384.52 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[2-[(2-benzylidenecyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate is sourced from PubChem (CID 54561569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).