ethyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate

C17H23NO4 — CID 669396

IUPACethyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(OCC)cc2)CC1
InChIInChI=1S/C17H23NO4/c1-3-21-15-7-5-13(6-8-15)16(19)18-11-9-14(10-12-18)17(20)22-4-2/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyLQGOUUAQKIPILS-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.50
Rot. Bonds5

About ethyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate

ethyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate (PubChem CID 669396) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is ethyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate
PubChem CID669396
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nameethyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(OCC)cc2)CC1
InChIInChI=1S/C17H23NO4/c1-3-21-15-7-5-13(6-8-15)16(19)18-11-9-14(10-12-18)17(20)22-4-2/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyLQGOUUAQKIPILS-UHFFFAOYSA-N
XLogP2.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate (CID 669396) is ethyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(OCC)cc2)CC1.
What is the InChIKey of ethyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate?
The InChIKey is LQGOUUAQKIPILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-3-21-15-7-5-13(6-8-15)16(19)18-11-9-14(10-12-18)17(20)22-4-2/h5-8,14H,3-4,9-12H2,1-2H3.
What are the key properties of ethyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate?
ethyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-ethoxybenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 669396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).