N-[4-(dimethylamino)phenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide

C21H27N3O2 — CID 3228763

IUPACN-[4-(dimethylamino)phenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)CN2CCC(O)(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-23(2)19-10-8-18(9-11-19)22-20(25)16-24-14-12-21(26,13-15-24)17-6-4-3-5-7-17/h3-11,26H,12-16H2,1-2H3,(H,22,25)
InChIKeyOOQMLSFVLCKNSL-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.67
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide

N-[4-(dimethylamino)phenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide (PubChem CID 3228763) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
PubChem CID3228763
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)CN2CCC(O)(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-23(2)19-10-8-18(9-11-19)22-20(25)16-24-14-12-21(26,13-15-24)17-6-4-3-5-7-17/h3-11,26H,12-16H2,1-2H3,(H,22,25)
InChIKeyOOQMLSFVLCKNSL-UHFFFAOYSA-N
XLogP2.67
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(dimethylamino)phenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide (CID 3228763) is N-[4-(dimethylamino)phenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide is CN(C)c1ccc(NC(=O)CN2CCC(O)(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide?
The InChIKey is OOQMLSFVLCKNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-23(2)19-10-8-18(9-11-19)22-20(25)16-24-14-12-21(26,13-15-24)17-6-4-3-5-7-17/h3-11,26H,12-16H2,1-2H3,(H,22,25).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide?
N-[4-(dimethylamino)phenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide is sourced from PubChem (CID 3228763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).