(2R)-2-(4-ethoxypiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

C24H26FN3O2S — CID 95786189

IUPAC(2R)-2-(4-ethoxypiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESCCOC1CCN([C@@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc2)CC1
InChIInChI=1S/C24H26FN3O2S/c1-2-30-20-12-14-28(15-13-20)22(18-6-4-3-5-7-18)23(29)27-24-26-21(16-31-24)17-8-10-19(25)11-9-17/h3-11,16,20,22H,2,12-15H2,1H3,(H,26,27,29)/t22-/m1/s1
InChIKeyOOZPLCYGLOUGHZ-JOCHJYFZSA-N
MW439.56 g/mol
LogP5.13
Rot. Bonds7

About (2R)-2-(4-ethoxypiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

(2R)-2-(4-ethoxypiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide (PubChem CID 95786189) has the molecular formula C24H26FN3O2S and a molecular weight of 439.56 g/mol. Its IUPAC name is (2R)-2-(4-ethoxypiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(4-ethoxypiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
PubChem CID95786189
Molecular FormulaC24H26FN3O2S
Molecular Weight439.56 g/mol
Exact Mass439.17
IUPAC Name(2R)-2-(4-ethoxypiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESCCOC1CCN([C@@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc2)CC1
InChIInChI=1S/C24H26FN3O2S/c1-2-30-20-12-14-28(15-13-20)22(18-6-4-3-5-7-18)23(29)27-24-26-21(16-31-24)17-8-10-19(25)11-9-17/h3-11,16,20,22H,2,12-15H2,1H3,(H,26,27,29)/t22-/m1/s1
InChIKeyOOZPLCYGLOUGHZ-JOCHJYFZSA-N
XLogP5.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]-2-phenylacetamide
CID 96522230
2-(4-ethoxypiperidin-1-yl)-2-phenylacetohydrazide
CID 63572659
(2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide
CID 124565294
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55815883
methyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate
CID 95276178
2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole
CID 133371636
(2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide
CID 124590924
2-[4-(2-methylpropoxy)piperidin-1-yl]-N,2-diphenylacetamide
CID 154774838
benzyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 76582831
(2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 7228846
(2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 40538784
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2114533

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethoxypiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-(4-ethoxypiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide (CID 95786189) is (2R)-2-(4-ethoxypiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(4-ethoxypiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-(4-ethoxypiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide is CCOC1CCN([C@@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc2)CC1.
What is the InChIKey of (2R)-2-(4-ethoxypiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The InChIKey is OOZPLCYGLOUGHZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H26FN3O2S/c1-2-30-20-12-14-28(15-13-20)22(18-6-4-3-5-7-18)23(29)27-24-26-21(16-31-24)17-8-10-19(25)11-9-17/h3-11,16,20,22H,2,12-15H2,1H3,(H,26,27,29)/t22-/m1/s1.
What are the key properties of (2R)-2-(4-ethoxypiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
(2R)-2-(4-ethoxypiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide has a molecular weight of 439.56 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethoxypiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 95786189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).