p-(2-Piperidinopropionamido)benzoic acid ethyl ester

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Basic information

CAS: 98067-30-2
Standard SMILES: CCOC(=O)c1ccc(NC(=O)C(C)N2CCCCC2)cc1
InChIKey: KMLSSEPKCRGQIX-UHFFFAOYSA-N
Molecular formula: C17H24N2O3
Average molar mass: 304.4 g/mol
Monoisotopic mass: 304.17869263

Names & identifiers

Preferred name: p-(2-Piperidinopropionamido)benzoic acid ethyl ester
IUPAC: ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate

Names & synonyms

98067-30-2p-(2-Piperidinopropionamido)benzoic acid ethyl esterBRN 1293185Ethyl p-(2-piperidinopropionylamino)benzoateBENZOIC ACID, p-(2-PIPERIDINOPROPIONAMIDO)-, ETHYL ESTERDTXSID90913478Ethyl 4-[2-(piperidin-1-yl)propanamido]benzoate

Database identifiers

CAS: 98067-30-2
PubChem CID: 57335
DTXSID: DTXSID90913478

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 372

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Compound notes

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