N-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-2,2-diphenylacetamide

C28H32N2O2 — CID 10574568

IUPACN-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-2,2-diphenylacetamide
SMILESO=C(NCCCN1CCC(O)(c2ccccc2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N2O2/c31-27(26(23-11-4-1-5-12-23)24-13-6-2-7-14-24)29-19-10-20-30-21-17-28(32,18-22-30)25-15-8-3-9-16-25/h1-9,11-16,26,32H,10,17-22H2,(H,29,31)
InChIKeyUEURMMMQAZIFAN-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.31
Rot. Bonds8

About N-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-2,2-diphenylacetamide

N-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-2,2-diphenylacetamide (PubChem CID 10574568) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-2,2-diphenylacetamide
PubChem CID10574568
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC NameN-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-2,2-diphenylacetamide
SMILESO=C(NCCCN1CCC(O)(c2ccccc2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N2O2/c31-27(26(23-11-4-1-5-12-23)24-13-6-2-7-14-24)29-19-10-20-30-21-17-28(32,18-22-30)25-15-8-3-9-16-25/h1-9,11-16,26,32H,10,17-22H2,(H,29,31)
InChIKeyUEURMMMQAZIFAN-UHFFFAOYSA-N
XLogP4.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-2,2-diphenylacetamide?
The IUPAC name of N-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-2,2-diphenylacetamide (CID 10574568) is N-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-2,2-diphenylacetamide is O=C(NCCCN1CCC(O)(c2ccccc2)CC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-2,2-diphenylacetamide?
The InChIKey is UEURMMMQAZIFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c31-27(26(23-11-4-1-5-12-23)24-13-6-2-7-14-24)29-19-10-20-30-21-17-28(32,18-22-30)25-15-8-3-9-16-25/h1-9,11-16,26,32H,10,17-22H2,(H,29,31).
What are the key properties of N-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-2,2-diphenylacetamide?
N-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-2,2-diphenylacetamide has a molecular weight of 428.58 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-2,2-diphenylacetamide is sourced from PubChem (CID 10574568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).