ethyl (3R,5R)-1-methyl-4-oxo-5-phenylpiperidine-3-carboxylate

C15H19NO3 — CID 92859017

IUPACethyl (3R,5R)-1-methyl-4-oxo-5-phenylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CN(C)C[C@@H](c2ccccc2)C1=O
InChIInChI=1S/C15H19NO3/c1-3-19-15(18)13-10-16(2)9-12(14(13)17)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyQEOPBMMDULTMSH-QWHCGFSZSA-N
MW261.32 g/mol
LogP1.46
Rot. Bonds3

About ethyl (3R,5R)-1-methyl-4-oxo-5-phenylpiperidine-3-carboxylate

ethyl (3R,5R)-1-methyl-4-oxo-5-phenylpiperidine-3-carboxylate (PubChem CID 92859017) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl (3R,5R)-1-methyl-4-oxo-5-phenylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R,5R)-1-methyl-4-oxo-5-phenylpiperidine-3-carboxylate
PubChem CID92859017
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl (3R,5R)-1-methyl-4-oxo-5-phenylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CN(C)C[C@@H](c2ccccc2)C1=O
InChIInChI=1S/C15H19NO3/c1-3-19-15(18)13-10-16(2)9-12(14(13)17)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyQEOPBMMDULTMSH-QWHCGFSZSA-N
XLogP1.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 1,5-dimethyl-4-oxopiperidine-3-carboxylate
CID 51358492
ethyl 1-oxo-4-phenyl-3,4-dihydro-2H-naphthalene-2-carboxylate
CID 102165448
ethyl 3-benzoyl-2-oxocyclopentane-1-carboxylate
CID 22897624
ethyl 1-methyl-5-phenylpyrrolidine-2-carboxylate
CID 14031444
ethyl 4-benzoyl-1-methylpyrrolidine-3-carboxylate
CID 3738299
ethyl 1-benzyl-5-methoxy-4-oxopiperidine-3-carboxylate
CID 59314770
methyl 2-oxo-3-phenylcyclopentane-1-carboxylate
CID 22173712
ethyl 1-methyl-4-oxopiperidine-3-carboxylate chloride
CID 53313902
ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate
CID 13065907
ethyl 5-benzyl-1,5-dimethyl-4-oxopyrrolidine-3-carboxylate
CID 83855347
ethyl 1-benzyl-2-oxo-5-phenylpyrrolidine-3-carboxylate
CID 15314819
ethyl 1-benzoyl-6,6-dimethyl-4-oxopiperidine-3-carboxylate
CID 118991717

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,5R)-1-methyl-4-oxo-5-phenylpiperidine-3-carboxylate?
The IUPAC name of ethyl (3R,5R)-1-methyl-4-oxo-5-phenylpiperidine-3-carboxylate (CID 92859017) is ethyl (3R,5R)-1-methyl-4-oxo-5-phenylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R,5R)-1-methyl-4-oxo-5-phenylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (3R,5R)-1-methyl-4-oxo-5-phenylpiperidine-3-carboxylate is CCOC(=O)[C@@H]1CN(C)C[C@@H](c2ccccc2)C1=O.
What is the InChIKey of ethyl (3R,5R)-1-methyl-4-oxo-5-phenylpiperidine-3-carboxylate?
The InChIKey is QEOPBMMDULTMSH-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-19-15(18)13-10-16(2)9-12(14(13)17)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of ethyl (3R,5R)-1-methyl-4-oxo-5-phenylpiperidine-3-carboxylate?
ethyl (3R,5R)-1-methyl-4-oxo-5-phenylpiperidine-3-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,5R)-1-methyl-4-oxo-5-phenylpiperidine-3-carboxylate is sourced from PubChem (CID 92859017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).