53384011
  -OEChem-04262422222D

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M  END
> <PUBCHEM_COMPOUND_CID>
53384011

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
552

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7sQAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAABQAAAHwAQAAAADCjhmA4wAIPABACIAiFSEACCAAAgAAAIiIGIBIgKYDKAlTGXIAhglgCYiAcYiICOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-benzyl-2-(4-fluorophenyl)-2-[4-(2-morpholinoethyl)piperazin-1-yl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-fluorophenyl)-2-[4-[2-(4-morpholinyl)ethyl]-1-piperazinyl]-N-(phenylmethyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-benzyl-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-benzyl-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-N-(phenylmethyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-benzyl-2-(4-fluorophenyl)-2-[4-(2-morpholinoethyl)piperazino]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H33FN4O2/c26-23-8-6-22(7-9-23)24(25(31)27-20-21-4-2-1-3-5-21)30-14-12-28(13-15-30)10-11-29-16-18-32-19-17-29/h1-9,24H,10-20H2,(H,27,31)

> <PUBCHEM_IUPAC_INCHIKEY>
SWISIHGMZIZBIC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
440.25875447

> <PUBCHEM_MOLECULAR_FORMULA>
C25H33FN4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
440.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(CCN1CCN2CCOCC2)C(C3=CC=C(C=C3)F)C(=O)NCC4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(CCN1CCN2CCOCC2)C(C3=CC=C(C=C3)F)C(=O)NCC4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
48

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
440.25875447

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  18  3
17  21  8
17  22  8
21  24  8
22  25  8
24  26  8
25  26  8
27  28  8
27  29  8
28  30  8
29  31  8
30  32  8
31  32  8

$$$$