n-[2-(3,4-Dimethoxyphenyl)ethyl]-3-{1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl}propanamide

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Basic information

CAS: 37969-12-3
Standard SMILES: COc1ccc(CCNC(=O)CCC2CCN(CCc3ccc(OC)c(OC)c3)CC2)cc1OC
InChIKey: YKLFURCFCJAWLX-UHFFFAOYSA-N
Molecular formula: C28H40N2O5
Average molar mass: 484.6 g/mol
Monoisotopic mass: 484.29372238

Names & identifiers

Preferred name: n-[2-(3,4-Dimethoxyphenyl)ethyl]-3-{1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl}propanamide
IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]propanamide

Names & synonyms

37969-12-3NSC107295n-[2-(3,4-dimethoxyphenyl)ethyl]-3-{1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl}propanamideDTXSID30296050NSC-107295DS-0055004-Piperidinepropanamide,n,1-bis[2-(3,4-dimethoxyphenyl)ethyl]-

Database identifiers

CAS: 37969-12-3
PubChem CID: 267703
DTXSID: DTXSID30296050

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 69.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 13
Heavy atoms: 35
Formal charge: 0
Complexity: 598

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Compound notes

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