3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide

C21H26N2O2 — CID 86785833

IUPAC3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide
SMILESCC(O)(CC(=O)NC1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-21(25,17-8-4-2-5-9-17)16-20(24)22-18-12-14-23(15-13-18)19-10-6-3-7-11-19/h2-11,18,25H,12-16H2,1H3,(H,22,24)
InChIKeyIZNCEHITWMJHOV-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.07
Rot. Bonds5

About 3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide

3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide (PubChem CID 86785833) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide
PubChem CID86785833
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide
SMILESCC(O)(CC(=O)NC1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-21(25,17-8-4-2-5-9-17)16-20(24)22-18-12-14-23(15-13-18)19-10-6-3-7-11-19/h2-11,18,25H,12-16H2,1H3,(H,22,24)
InChIKeyIZNCEHITWMJHOV-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide
CID 110026123
2-amino-2-phenyl-N-(1-phenylpiperidin-4-yl)propanamide
CID 120595916
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride
CID 119863025
N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110025114
4-amino-N-(1-phenylpiperidin-4-yl)butanamide
CID 119863037
2-(2-fluorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735879
3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide
CID 110024262
3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide
CID 110025482
3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119953381
N-[1-(4-hydroxyphenyl)piperidin-4-yl]-2-phenylacetamide
CID 171351771
2-(2-methylphenoxy)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735883

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide?
The IUPAC name of 3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide (CID 86785833) is 3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide.
What is the SMILES notation for 3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide?
The canonical SMILES for 3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide is CC(O)(CC(=O)NC1CCN(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide?
The InChIKey is IZNCEHITWMJHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-21(25,17-8-4-2-5-9-17)16-20(24)22-18-12-14-23(15-13-18)19-10-6-3-7-11-19/h2-11,18,25H,12-16H2,1H3,(H,22,24).
What are the key properties of 3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide?
3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide has a molecular weight of 338.45 g/mol, XLogP of 3.07, 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-(1-phenylpiperidin-4-yl)butanamide is sourced from PubChem (CID 86785833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).