methyl 2-methylidene-6-oxo-4-phenylpiperidine-3-carboxylate

C14H15NO3 — CID 4050196

IUPACmethyl 2-methylidene-6-oxo-4-phenylpiperidine-3-carboxylate
SMILESC=C1NC(=O)CC(c2ccccc2)C1C(=O)OC
InChIInChI=1S/C14H15NO3/c1-9-13(14(17)18-2)11(8-12(16)15-9)10-6-4-3-5-7-10/h3-7,11,13H,1,8H2,2H3,(H,15,16)
InChIKeyCEWKGYMOAIXLAZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.59
Rot. Bonds2

About methyl 2-methylidene-6-oxo-4-phenylpiperidine-3-carboxylate

methyl 2-methylidene-6-oxo-4-phenylpiperidine-3-carboxylate (PubChem CID 4050196) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 2-methylidene-6-oxo-4-phenylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methylidene-6-oxo-4-phenylpiperidine-3-carboxylate
PubChem CID4050196
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 2-methylidene-6-oxo-4-phenylpiperidine-3-carboxylate
SMILESC=C1NC(=O)CC(c2ccccc2)C1C(=O)OC
InChIInChI=1S/C14H15NO3/c1-9-13(14(17)18-2)11(8-12(16)15-9)10-6-4-3-5-7-10/h3-7,11,13H,1,8H2,2H3,(H,15,16)
InChIKeyCEWKGYMOAIXLAZ-UHFFFAOYSA-N
XLogP1.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (1S,6S)-2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate
CID 6943850
methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate
CID 101211176
methyl (1S,3S,6S)-3-acetyl-2,4-dioxo-6-phenylcyclohexane-1-carboxylate
CID 792850
methyl (1R,3R,6S)-3-acetyl-2,4-dioxo-6-phenylcyclohexane-1-carboxylate
CID 98173141
methyl 1-acetyl-4-methylidene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate
CID 3585513
2-methoxyethyl (3R,4S)-2-methylidene-6-oxo-4-(2-phenylmethoxyphenyl)piperidine-3-carboxylate
CID 2167593
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
methyl (2S,3S,6S)-2-methyl-4-oxo-6-phenylpiperidine-3-carboxylate
CID 102519097
cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979
methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 101261612
methyl (1R,3S,6S)-3-(4-chlorophenyl)sulfanyl-2,4-dioxo-6-phenylcyclohexane-1-carboxylate
CID 98161938
methyl 3-phenylpyrrolidine-2-carboxylate
CID 18663579

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylidene-6-oxo-4-phenylpiperidine-3-carboxylate?
The IUPAC name of methyl 2-methylidene-6-oxo-4-phenylpiperidine-3-carboxylate (CID 4050196) is methyl 2-methylidene-6-oxo-4-phenylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 2-methylidene-6-oxo-4-phenylpiperidine-3-carboxylate?
The canonical SMILES for methyl 2-methylidene-6-oxo-4-phenylpiperidine-3-carboxylate is C=C1NC(=O)CC(c2ccccc2)C1C(=O)OC.
What is the InChIKey of methyl 2-methylidene-6-oxo-4-phenylpiperidine-3-carboxylate?
The InChIKey is CEWKGYMOAIXLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-13(14(17)18-2)11(8-12(16)15-9)10-6-4-3-5-7-10/h3-7,11,13H,1,8H2,2H3,(H,15,16).
What are the key properties of methyl 2-methylidene-6-oxo-4-phenylpiperidine-3-carboxylate?
methyl 2-methylidene-6-oxo-4-phenylpiperidine-3-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylidene-6-oxo-4-phenylpiperidine-3-carboxylate is sourced from PubChem (CID 4050196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).