1-Piperidineacetamide,4-[(4-fluorophenyl)methyl]-n-[3-[(phenylmethyl)amino]phenyl]-

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Basic information

CAS: 496057-27-3
Standard SMILES: O=C(CN1CCC(Cc2ccc(F)cc2)CC1)Nc1cccc(NCc2ccccc2)c1
InChIKey: FZXNYQHKTAIVMC-UHFFFAOYSA-N
Molecular formula: C27H30FN3O
Average molar mass: 431.5 g/mol
Monoisotopic mass: 431.23729075

Names & identifiers

Preferred name: 1-Piperidineacetamide,4-[(4-fluorophenyl)methyl]-n-[3-[(phenylmethyl)amino]phenyl]-
IUPAC: N-[3-(benzylamino)phenyl]-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide

Names & synonyms

496057-27-31-piperidineacetamide,4-[(4-fluorophenyl)methyl]-n-[3-[(phenylmethyl)amino]phenyl]-SCHEMBL4577976FZXNYQHKTAIVMC-UHFFFAOYSA-NDTXSID401130951N-(3-Benzylamino-phenyl)-2-[4-(4-fluoro-benzyl)-piperidin-1-yl]-acetamide4-[(4-Fluorophenyl)methyl]-N-[3-[(phenylmethyl)amino]phenyl]-1-piperidineacetamideN-[3-(BENZYLAMINO)PHENYL]-2-{4-[(4-FLUOROPHENYL)METHYL]PIPERIDIN-1-YL}ACETAMIDE

Database identifiers

CAS: 496057-27-3
PubChem CID: 69100484
DTXSID: DTXSID401130951

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 44.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 551

Related reactions

2 records

New reaction record

HRID 669740As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 2115113As productuspto-grants-2008_10

Compound notes

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