2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate

C22H25NO4 — CID 166373036

IUPAC2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate
SMILESCOc1cccc(CCOC(=O)C2CCCCN2C(=O)c2ccccc2)c1
InChIInChI=1S/C22H25NO4/c1-26-19-11-7-8-17(16-19)13-15-27-22(25)20-12-5-6-14-23(20)21(24)18-9-3-2-4-10-18/h2-4,7-11,16,20H,5-6,12-15H2,1H3
InChIKeyXTLRGVFMYBKAPC-UHFFFAOYSA-N
MW367.44 g/mol
LogP3.48
Rot. Bonds6

About 2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate

2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate (PubChem CID 166373036) has the molecular formula C22H25NO4 and a molecular weight of 367.44 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate.

Molecular Properties

Compound Name2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate
PubChem CID166373036
Molecular FormulaC22H25NO4
Molecular Weight367.44 g/mol
Exact Mass367.18
IUPAC Name2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate
SMILESCOc1cccc(CCOC(=O)C2CCCCN2C(=O)c2ccccc2)c1
InChIInChI=1S/C22H25NO4/c1-26-19-11-7-8-17(16-19)13-15-27-22(25)20-12-5-6-14-23(20)21(24)18-9-3-2-4-10-18/h2-4,7-11,16,20H,5-6,12-15H2,1H3
InChIKeyXTLRGVFMYBKAPC-UHFFFAOYSA-N
XLogP3.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
(2S)-1-[(2R)-1-benzoylpiperidine-2-carbonyl]-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50985907
2-(3-methoxyphenyl)ethyl cyclobutanecarboxylate
CID 175477899
3-(3-methoxyphenyl)propyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate
CID 10668143
methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835955
2-methylpropyl 1-benzoylpiperidine-2-carboxylate
CID 100995685
2-(3,4-dimethoxyphenyl)ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-2-carboxylate
CID 44764644
1-O-benzyl 2-O-[2-(3,5-dimethoxy-4-methylphenyl)ethyl] (2S)-piperidine-1,2-dicarboxylate
CID 160819971
(3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate
CID 60529591
1-[2-(3-methoxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64559530
2-(3,4-dimethoxyphenyl)ethyl 1-(2-ethoxybenzoyl)piperidine-2-carboxylate
CID 44765789

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate?
The IUPAC name of 2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate (CID 166373036) is 2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate.
What is the SMILES notation for 2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate?
The canonical SMILES for 2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate is COc1cccc(CCOC(=O)C2CCCCN2C(=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate?
The InChIKey is XTLRGVFMYBKAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-26-19-11-7-8-17(16-19)13-15-27-22(25)20-12-5-6-14-23(20)21(24)18-9-3-2-4-10-18/h2-4,7-11,16,20H,5-6,12-15H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate?
2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate has a molecular weight of 367.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate is sourced from PubChem (CID 166373036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).