ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxylate

C17H23NO3 — CID 756675

IUPACethyl 1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C17H23NO3/c1-3-21-17(20)15-8-10-18(11-9-15)16(19)12-14-6-4-13(2)5-7-14/h4-7,15H,3,8-12H2,1-2H3
InChIKeyDYAFTNMEZYIWGH-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.34
Rot. Bonds4

About ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxylate (PubChem CID 756675) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxylate
PubChem CID756675
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameethyl 1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C17H23NO3/c1-3-21-17(20)15-8-10-18(11-9-15)16(19)12-14-6-4-13(2)5-7-14/h4-7,15H,3,8-12H2,1-2H3
InChIKeyDYAFTNMEZYIWGH-UHFFFAOYSA-N
XLogP2.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxylate (CID 756675) is ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cc2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxylate?
The InChIKey is DYAFTNMEZYIWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-21-17(20)15-8-10-18(11-9-15)16(19)12-14-6-4-13(2)5-7-14/h4-7,15H,3,8-12H2,1-2H3.
What are the key properties of ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 756675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).