(2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide

C22H27FN2O3 — CID 124565294

IUPAC(2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide
SMILESCOCCOC1CCN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1
InChIInChI=1S/C22H27FN2O3/c1-27-15-16-28-20-11-13-25(14-12-20)21(17-5-3-2-4-6-17)22(26)24-19-9-7-18(23)8-10-19/h2-10,20-21H,11-16H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyHFAICHGDTZQBFN-NRFANRHFSA-N
MW386.47 g/mol
LogP3.63
Rot. Bonds8

About (2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide

(2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide (PubChem CID 124565294) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide
PubChem CID124565294
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name(2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide
SMILESCOCCOC1CCN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1
InChIInChI=1S/C22H27FN2O3/c1-27-15-16-28-20-11-13-25(14-12-20)21(17-5-3-2-4-6-17)22(26)24-19-9-7-18(23)8-10-19/h2-10,20-21H,11-16H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyHFAICHGDTZQBFN-NRFANRHFSA-N
XLogP3.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide
CID 124590924
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55910553
2-[4-(2-methylpropoxy)piperidin-1-yl]-N,2-diphenylacetamide
CID 154774838
(2R)-2-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 124777649
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 43062016
(2S)-N-(4-fluorophenyl)-2-[4-[(2S)-1-hydroxybutan-2-yl]piperazin-1-yl]-2-phenylacetamide
CID 124607905
N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 46561400
(2R)-2-(4-ethoxypiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 95786189
(2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide
CID 124514274
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 32701204
methyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate
CID 95276178
2-(4-ethoxypiperidin-1-yl)-2-phenylacetohydrazide
CID 63572659

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide (CID 124565294) is (2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide is COCCOC1CCN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide?
The InChIKey is HFAICHGDTZQBFN-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-27-15-16-28-20-11-13-25(14-12-20)21(17-5-3-2-4-6-17)22(26)24-19-9-7-18(23)8-10-19/h2-10,20-21H,11-16H2,1H3,(H,24,26)/t21-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide?
(2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide has a molecular weight of 386.47 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 124565294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).