ethyl 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxylate

C23H27NO3 — CID 2978108

IUPACethyl 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1
InChIInChI=1S/C23H27NO3/c1-2-27-23(26)20-14-16-24(17-15-20)22(25)21-11-7-6-10-19(21)13-12-18-8-4-3-5-9-18/h3-11,20H,2,12-17H2,1H3
InChIKeyMOQVMQCREFGGEE-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.89
Rot. Bonds6

About ethyl 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxylate

ethyl 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxylate (PubChem CID 2978108) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is ethyl 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxylate
PubChem CID2978108
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Nameethyl 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1
InChIInChI=1S/C23H27NO3/c1-2-27-23(26)20-14-16-24(17-15-20)22(25)21-11-7-6-10-19(21)13-12-18-8-4-3-5-9-18/h3-11,20H,2,12-17H2,1H3
InChIKeyMOQVMQCREFGGEE-UHFFFAOYSA-N
XLogP3.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxylate (CID 2978108) is ethyl 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1.
What is the InChIKey of ethyl 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxylate?
The InChIKey is MOQVMQCREFGGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-2-27-23(26)20-14-16-24(17-15-20)22(25)21-11-7-6-10-19(21)13-12-18-8-4-3-5-9-18/h3-11,20H,2,12-17H2,1H3.
What are the key properties of ethyl 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxylate?
ethyl 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxylate has a molecular weight of 365.47 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 2978108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).