lithium;(3S)-3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one;fluoride

C25H32FLiN2O2 — CID 70103154

IUPAClithium;(3S)-3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one;fluoride
SMILESC[C@H](CN1CCOCC1)C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1.[F-].[Li+]
InChIInChI=1S/C25H32N2O2.FH.Li/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27;;/h2-7,10-13,21H,8-9,14-20H2,1H3;1H;/q;;+1/p-1/t21-;;/m1../s1
InChIKeyZUQWAZLBQJHRDV-GHVWMZMZSA-M
MW418.48 g/mol
LogP-2.43
Rot. Bonds6

About lithium;(3S)-3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one;fluoride

lithium;(3S)-3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one;fluoride (PubChem CID 70103154) has the molecular formula C25H32FLiN2O2 and a molecular weight of 418.48 g/mol. Its IUPAC name is lithium;(3S)-3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one;fluoride.

Molecular Properties

Compound Namelithium;(3S)-3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one;fluoride
PubChem CID70103154
Molecular FormulaC25H32FLiN2O2
Molecular Weight418.48 g/mol
Exact Mass418.26
IUPAC Namelithium;(3S)-3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one;fluoride
SMILESC[C@H](CN1CCOCC1)C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1.[F-].[Li+]
InChIInChI=1S/C25H32N2O2.FH.Li/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27;;/h2-7,10-13,21H,8-9,14-20H2,1H3;1H;/q;;+1/p-1/t21-;;/m1../s1
InChIKeyZUQWAZLBQJHRDV-GHVWMZMZSA-M
XLogP-2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 5-2.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze lithium;(3S)-3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one;fluoride with MolForge

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Related Compounds

(3S)-2,2-bis(4-fluorophenyl)-3-methyl-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one;(3S)-2-(4-fluorophenyl)-3-methyl-4-morpholin-4-yl-2-phenyl-1-pyrrolidin-1-ylbutan-1-one
CID 159786107
(3S)-2-(3-fluorophenyl)-2-(4-fluorophenyl)-3-methyl-4-morpholin-4-yl-1-pyrrolidin-1-ylbutan-1-one
CID 46853467
3-methyl-4-morpholin-4-yl-2,2-diphenylbutanoic acid;sulfuric acid
CID 138397409
5-methyl-4,4-diphenyl-6-piperidin-1-ylhexan-3-imine
CID 3030528
2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 55496523
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243283
4-morpholin-4-yl-3,3-diphenylbutan-2-one
CID 23423770
2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 136579803
6-morpholin-4-yl-4,4-diphenylheptan-3-one
CID 10089
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone
CID 6611667
3-morpholin-4-yl-1,1,2-triphenylpropan-1-ol
CID 6620503

Frequently Asked Questions

What is the IUPAC name of lithium;(3S)-3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one;fluoride?
The IUPAC name of lithium;(3S)-3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one;fluoride (CID 70103154) is lithium;(3S)-3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one;fluoride.
What is the SMILES notation for lithium;(3S)-3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one;fluoride?
The canonical SMILES for lithium;(3S)-3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one;fluoride is C[C@H](CN1CCOCC1)C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1.[F-].[Li+].
What is the InChIKey of lithium;(3S)-3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one;fluoride?
The InChIKey is ZUQWAZLBQJHRDV-GHVWMZMZSA-M. The full InChI is InChI=1S/C25H32N2O2.FH.Li/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27;;/h2-7,10-13,21H,8-9,14-20H2,1H3;1H;/q;;+1/p-1/t21-;;/m1../s1.
What are the key properties of lithium;(3S)-3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one;fluoride?
lithium;(3S)-3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one;fluoride has a molecular weight of 418.48 g/mol, XLogP of -2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(3S)-3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one;fluoride is sourced from PubChem (CID 70103154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).