(2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide

C22H27FN2O3 — CID 124590924

IUPAC(2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCC(OCCCO)CC1
InChIInChI=1S/C22H27FN2O3/c23-18-7-9-19(10-8-18)24-22(27)21(17-5-2-1-3-6-17)25-13-11-20(12-14-25)28-16-4-15-26/h1-3,5-10,20-21,26H,4,11-16H2,(H,24,27)/t21-/m0/s1
InChIKeyAFDXNUCFAXZDQD-NRFANRHFSA-N
MW386.47 g/mol
LogP3.37
Rot. Bonds8

About (2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide

(2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide (PubChem CID 124590924) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide
PubChem CID124590924
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name(2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCC(OCCCO)CC1
InChIInChI=1S/C22H27FN2O3/c23-18-7-9-19(10-8-18)24-22(27)21(17-5-2-1-3-6-17)25-13-11-20(12-14-25)28-16-4-15-26/h1-3,5-10,20-21,26H,4,11-16H2,(H,24,27)/t21-/m0/s1
InChIKeyAFDXNUCFAXZDQD-NRFANRHFSA-N
XLogP3.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
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-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide
CID 124565294
(2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide
CID 124514274
2-[4-(2-methylpropoxy)piperidin-1-yl]-N,2-diphenylacetamide
CID 154774838
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55910553
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
(2R)-2-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 124777649
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 32701204
(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 2563574
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 3431872
3-[1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]piperidin-3-yl]propanoic acid
CID 122100950
(2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 30639724

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide (CID 124590924) is (2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide is O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCC(OCCCO)CC1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide?
The InChIKey is AFDXNUCFAXZDQD-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27FN2O3/c23-18-7-9-19(10-8-18)24-22(27)21(17-5-2-1-3-6-17)25-13-11-20(12-14-25)28-16-4-15-26/h1-3,5-10,20-21,26H,4,11-16H2,(H,24,27)/t21-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide?
(2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide has a molecular weight of 386.47 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 124590924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).