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

C22H25NO3 — CID 1153571

IUPACethyl 1-[2-(4-phenylphenyl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H25NO3/c1-2-26-22(25)20-12-14-23(15-13-20)21(24)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,20H,2,12-16H2,1H3
InChIKeyPUAYDSHJPQHBPE-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.70
Rot. Bonds5

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

ethyl 1-[2-(4-phenylphenyl)acetyl]piperidine-4-carboxylate (PubChem CID 1153571) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is ethyl 1-[2-(4-phenylphenyl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-phenylphenyl)acetyl]piperidine-4-carboxylate
PubChem CID1153571
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Nameethyl 1-[2-(4-phenylphenyl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H25NO3/c1-2-26-22(25)20-12-14-23(15-13-20)21(24)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,20H,2,12-16H2,1H3
InChIKeyPUAYDSHJPQHBPE-UHFFFAOYSA-N
XLogP3.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.70
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-phenylphenyl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-phenylphenyl)acetyl]piperidine-4-carboxylate (CID 1153571) is ethyl 1-[2-(4-phenylphenyl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-phenylphenyl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-phenylphenyl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of ethyl 1-[2-(4-phenylphenyl)acetyl]piperidine-4-carboxylate?
The InChIKey is PUAYDSHJPQHBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-2-26-22(25)20-12-14-23(15-13-20)21(24)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,20H,2,12-16H2,1H3.
What are the key properties of ethyl 1-[2-(4-phenylphenyl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-phenylphenyl)acetyl]piperidine-4-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-phenylphenyl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 1153571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).