(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[4-(trifluoromethyl)phenyl]piperazine

C37H44F6N6O5S — CID 159981198

IUPAC(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[4-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCNCC2)cc1.O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C26H31F3N4O5S.C11H13F3N2/c27-26(28,29)20-1-3-21(4-2-20)30-7-9-32(10-8-30)25(34)23-19-22(39(35,36)33-13-17-38-18-14-33)5-6-24(23)31-11-15-37-16-12-31;12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16/h1-6,19H,7-18H2;1-4,15H,5-8H2
InChIKeyOFUHNFUKOOMEBB-UHFFFAOYSA-N
MW798.85 g/mol
LogP4.64
Rot. Bonds6

About (2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[4-(trifluoromethyl)phenyl]piperazine

(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[4-(trifluoromethyl)phenyl]piperazine (PubChem CID 159981198) has the molecular formula C37H44F6N6O5S and a molecular weight of 798.85 g/mol. Its IUPAC name is (2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[4-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[4-(trifluoromethyl)phenyl]piperazine
PubChem CID159981198
Molecular FormulaC37H44F6N6O5S
Molecular Weight798.85 g/mol
Exact Mass798.30
IUPAC Name(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[4-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCNCC2)cc1.O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C26H31F3N4O5S.C11H13F3N2/c27-26(28,29)20-1-3-21(4-2-20)30-7-9-32(10-8-30)25(34)23-19-22(39(35,36)33-13-17-38-18-14-33)5-6-24(23)31-11-15-37-16-12-31;12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16/h1-6,19H,7-18H2;1-4,15H,5-8H2
InChIKeyOFUHNFUKOOMEBB-UHFFFAOYSA-N
XLogP4.64
TPSA97.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500798.85
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(5-methylsulfonyl-2-morpholin-4-ylphenyl)-[4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methanone
CID 11488879
1-[2-bromo-5-(trifluoromethyl)phenyl]piperazine;[4-[2-bromo-5-(trifluoromethyl)phenyl]piperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone
CID 160676351
3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-N-methyl-4-morpholin-4-ylbenzenesulfonamide
CID 11421212
N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119400713
2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 55336704
4-(3-hydroxypiperidin-1-yl)-N-methyl-3-[4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 59793510
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 26590808
3-[4-(3-fluoro-4-methylphenyl)piperazine-1-carbonyl]-N-methyl-4-morpholin-4-ylbenzenesulfonamide
CID 71163796
(2-pyrrolidin-1-ylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 68839610
azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 112759512
[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-yl-5-nitrosophenyl)methanone
CID 163655876
2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 2433198

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[4-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of (2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[4-(trifluoromethyl)phenyl]piperazine (CID 159981198) is (2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[4-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for (2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[4-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for (2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[4-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1ccc(N2CCNCC2)cc1.O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of (2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[4-(trifluoromethyl)phenyl]piperazine?
The InChIKey is OFUHNFUKOOMEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N4O5S.C11H13F3N2/c27-26(28,29)20-1-3-21(4-2-20)30-7-9-32(10-8-30)25(34)23-19-22(39(35,36)33-13-17-38-18-14-33)5-6-24(23)31-11-15-37-16-12-31;12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16/h1-6,19H,7-18H2;1-4,15H,5-8H2.
What are the key properties of (2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[4-(trifluoromethyl)phenyl]piperazine?
(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[4-(trifluoromethyl)phenyl]piperazine has a molecular weight of 798.85 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[4-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 159981198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).