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

C₂₂H₂₇FN₂O₃ — CID 124590924

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 CID: 124590924
• Molecular Formula: C₂₂H₂₇FN₂O₃
• Molecular Weight: 386.47 g/mol
• Exact Mass: 386.20
• IUPAC Name: (2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide
• SMILES: O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCC(OCCCO)CC1
• InChI: 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
• InChIKey: AFDXNUCFAXZDQD-NRFANRHFSA-N
• XLogP: 3.37
• TPSA: 61.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.47
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

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).

Sources

• PubChem CID 124590924 — identifiers, structure, computed properties (public domain)

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