morpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone

C23H31N3O2S — CID 78836439

IUPACmorpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone
SMILESCC(C)c1ccc(-c2ncc(CN3CCCC(C(=O)N4CCOCC4)C3)s2)cc1
InChIInChI=1S/C23H31N3O2S/c1-17(2)18-5-7-19(8-6-18)22-24-14-21(29-22)16-25-9-3-4-20(15-25)23(27)26-10-12-28-13-11-26/h5-8,14,17,20H,3-4,9-13,15-16H2,1-2H3
InChIKeyTYYNPBFVTNIMTJ-UHFFFAOYSA-N
MW413.59 g/mol
LogP4.00
Rot. Bonds5

About morpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone

morpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone (PubChem CID 78836439) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is morpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone
PubChem CID78836439
Molecular FormulaC23H31N3O2S
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC Namemorpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone
SMILESCC(C)c1ccc(-c2ncc(CN3CCCC(C(=O)N4CCOCC4)C3)s2)cc1
InChIInChI=1S/C23H31N3O2S/c1-17(2)18-5-7-19(8-6-18)22-24-14-21(29-22)16-25-9-3-4-20(15-25)23(27)26-10-12-28-13-11-26/h5-8,14,17,20H,3-4,9-13,15-16H2,1-2H3
InChIKeyTYYNPBFVTNIMTJ-UHFFFAOYSA-N
XLogP4.00
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze morpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone with MolForge

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Related Compounds

oxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 78787878
2-morpholin-4-yl-1-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 78835226
morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone
CID 94083807
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 93490177
[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918722
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 163351854
[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 24791417
[1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 84592565
[(3S)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 41305841
4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 51323129
[1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 70779312

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone (CID 78836439) is morpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone is CC(C)c1ccc(-c2ncc(CN3CCCC(C(=O)N4CCOCC4)C3)s2)cc1.
What is the InChIKey of morpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone?
The InChIKey is TYYNPBFVTNIMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2S/c1-17(2)18-5-7-19(8-6-18)22-24-14-21(29-22)16-25-9-3-4-20(15-25)23(27)26-10-12-28-13-11-26/h5-8,14,17,20H,3-4,9-13,15-16H2,1-2H3.
What are the key properties of morpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone?
morpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone has a molecular weight of 413.59 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 78836439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).