ethyl 1-[(4-methoxyphenyl)methyl]-4-oxopiperidine-2-carboxylate

C16H21NO4 — CID 70117021

IUPACethyl 1-[(4-methoxyphenyl)methyl]-4-oxopiperidine-2-carboxylate
SMILESCCOC(=O)C1CC(=O)CCN1Cc1ccc(OC)cc1
InChIInChI=1S/C16H21NO4/c1-3-21-16(19)15-10-13(18)8-9-17(15)11-12-4-6-14(20-2)7-5-12/h4-7,15H,3,8-11H2,1-2H3
InChIKeyYVZSJQSZPQVWNP-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.79
Rot. Bonds5

About ethyl 1-[(4-methoxyphenyl)methyl]-4-oxopiperidine-2-carboxylate

ethyl 1-[(4-methoxyphenyl)methyl]-4-oxopiperidine-2-carboxylate (PubChem CID 70117021) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 1-[(4-methoxyphenyl)methyl]-4-oxopiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-methoxyphenyl)methyl]-4-oxopiperidine-2-carboxylate
PubChem CID70117021
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Nameethyl 1-[(4-methoxyphenyl)methyl]-4-oxopiperidine-2-carboxylate
SMILESCCOC(=O)C1CC(=O)CCN1Cc1ccc(OC)cc1
InChIInChI=1S/C16H21NO4/c1-3-21-16(19)15-10-13(18)8-9-17(15)11-12-4-6-14(20-2)7-5-12/h4-7,15H,3,8-11H2,1-2H3
InChIKeyYVZSJQSZPQVWNP-UHFFFAOYSA-N
XLogP1.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-methoxyphenyl)methyl]-4-oxopiperidine-2-carboxylate?
The IUPAC name of ethyl 1-[(4-methoxyphenyl)methyl]-4-oxopiperidine-2-carboxylate (CID 70117021) is ethyl 1-[(4-methoxyphenyl)methyl]-4-oxopiperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(4-methoxyphenyl)methyl]-4-oxopiperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(4-methoxyphenyl)methyl]-4-oxopiperidine-2-carboxylate is CCOC(=O)C1CC(=O)CCN1Cc1ccc(OC)cc1.
What is the InChIKey of ethyl 1-[(4-methoxyphenyl)methyl]-4-oxopiperidine-2-carboxylate?
The InChIKey is YVZSJQSZPQVWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-21-16(19)15-10-13(18)8-9-17(15)11-12-4-6-14(20-2)7-5-12/h4-7,15H,3,8-11H2,1-2H3.
What are the key properties of ethyl 1-[(4-methoxyphenyl)methyl]-4-oxopiperidine-2-carboxylate?
ethyl 1-[(4-methoxyphenyl)methyl]-4-oxopiperidine-2-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-methoxyphenyl)methyl]-4-oxopiperidine-2-carboxylate is sourced from PubChem (CID 70117021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).