ethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate

C17H23NO3 — CID 2905874

IUPACethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C17H23NO3/c1-2-21-17(20)15-9-6-12-18(13-15)16(19)11-10-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKeyLVMVVNGUHQMRGQ-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.42
Rot. Bonds5

About ethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate

ethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate (PubChem CID 2905874) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is ethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate
PubChem CID2905874
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Nameethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C17H23NO3/c1-2-21-17(20)15-9-6-12-18(13-15)16(19)11-10-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKeyLVMVVNGUHQMRGQ-UHFFFAOYSA-N
XLogP2.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate (CID 2905874) is ethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CCc2ccccc2)C1.
What is the InChIKey of ethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate?
The InChIKey is LVMVVNGUHQMRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-21-17(20)15-9-6-12-18(13-15)16(19)11-10-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3.
What are the key properties of ethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate?
ethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate has a molecular weight of 289.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 2905874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).