3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide

C21H26N2O2 — CID 110024262

IUPAC3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide
SMILESCC(O)(CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-21(25,17-8-4-2-5-9-17)16-20(24)22-18-10-12-19(13-11-18)23-14-6-3-7-15-23/h2,4-5,8-13,25H,3,6-7,14-16H2,1H3,(H,22,24)
InChIKeyMDQXDIRRUQWMCV-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.91
Rot. Bonds5

About 3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide

3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide (PubChem CID 110024262) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide
PubChem CID110024262
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide
SMILESCC(O)(CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-21(25,17-8-4-2-5-9-17)16-20(24)22-18-10-12-19(13-11-18)23-14-6-3-7-15-23/h2,4-5,8-13,25H,3,6-7,14-16H2,1H3,(H,22,24)
InChIKeyMDQXDIRRUQWMCV-UHFFFAOYSA-N
XLogP3.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-phenylbutanamide
CID 110024527
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953212
3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide
CID 86785833
2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922450
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9327985
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073
N-[4-(azepan-1-yl)phenyl]-3-chloro-2,2-dimethylpropanamide
CID 63679380

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide?
The IUPAC name of 3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide (CID 110024262) is 3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide.
What is the SMILES notation for 3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide?
The canonical SMILES for 3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide is CC(O)(CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of 3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide?
The InChIKey is MDQXDIRRUQWMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-21(25,17-8-4-2-5-9-17)16-20(24)22-18-10-12-19(13-11-18)23-14-6-3-7-15-23/h2,4-5,8-13,25H,3,6-7,14-16H2,1H3,(H,22,24).
What are the key properties of 3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide?
3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide has a molecular weight of 338.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide is sourced from PubChem (CID 110024262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).