[4-[[(2S)-4-(furan-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C22H24F3N3O4 — CID 92988082

IUPAC[4-[[(2S)-4-(furan-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCN(C[C@H]2CN(C(=O)c3ccco3)CCO2)CC1
InChIInChI=1S/C22H24F3N3O4/c23-22(24,25)17-5-3-16(4-6-17)20(29)27-9-7-26(8-10-27)14-18-15-28(11-13-31-18)21(30)19-2-1-12-32-19/h1-6,12,18H,7-11,13-15H2/t18-/m0/s1
InChIKeyFRGDKSFVNFUCMI-SFHVURJKSA-N
MW451.45 g/mol
LogP2.60
Rot. Bonds4

About [4-[[(2S)-4-(furan-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-[[(2S)-4-(furan-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 92988082) has the molecular formula C22H24F3N3O4 and a molecular weight of 451.45 g/mol. Its IUPAC name is [4-[[(2S)-4-(furan-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[[(2S)-4-(furan-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID92988082
Molecular FormulaC22H24F3N3O4
Molecular Weight451.45 g/mol
Exact Mass451.17
IUPAC Name[4-[[(2S)-4-(furan-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCN(C[C@H]2CN(C(=O)c3ccco3)CCO2)CC1
InChIInChI=1S/C22H24F3N3O4/c23-22(24,25)17-5-3-16(4-6-17)20(29)27-9-7-26(8-10-27)14-18-15-28(11-13-31-18)21(30)19-2-1-12-32-19/h1-6,12,18H,7-11,13-15H2/t18-/m0/s1
InChIKeyFRGDKSFVNFUCMI-SFHVURJKSA-N
XLogP2.60
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[[(2S)-4-(furan-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

N-(4-fluorophenyl)-2-[[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methyl]morpholine-4-carbothioamide
CID 42862609
[4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42861807
[2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 42861811
[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 51710382
[4-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 42861799
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113073703
1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 42861511
furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 37376323
(4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42861858
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
1-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 99929489
(4-fluorophenyl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 71955614

Frequently Asked Questions

What is the IUPAC name of [4-[[(2S)-4-(furan-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[[(2S)-4-(furan-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 92988082) is [4-[[(2S)-4-(furan-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[[(2S)-4-(furan-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[[(2S)-4-(furan-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C[C@H]2CN(C(=O)c3ccco3)CCO2)CC1.
What is the InChIKey of [4-[[(2S)-4-(furan-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is FRGDKSFVNFUCMI-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24F3N3O4/c23-22(24,25)17-5-3-16(4-6-17)20(29)27-9-7-26(8-10-27)14-18-15-28(11-13-31-18)21(30)19-2-1-12-32-19/h1-6,12,18H,7-11,13-15H2/t18-/m0/s1.
What are the key properties of [4-[[(2S)-4-(furan-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-[[(2S)-4-(furan-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 451.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2S)-4-(furan-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 92988082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).