N-[(2-fluorophenyl)methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide

C21H25FN2O2 — CID 91828465

IUPACN-[(2-fluorophenyl)methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide
SMILESO=C(CCN1CCC(O)(c2ccccc2)CC1)NCc1ccccc1F
InChIInChI=1S/C21H25FN2O2/c22-19-9-5-4-6-17(19)16-23-20(25)10-13-24-14-11-21(26,12-15-24)18-7-2-1-3-8-18/h1-9,26H,10-16H2,(H,23,25)
InChIKeyMNIDPGRXVHXYJX-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.82
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide

N-[(2-fluorophenyl)methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide (PubChem CID 91828465) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide
PubChem CID91828465
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide
SMILESO=C(CCN1CCC(O)(c2ccccc2)CC1)NCc1ccccc1F
InChIInChI=1S/C21H25FN2O2/c22-19-9-5-4-6-17(19)16-23-20(25)10-13-24-14-11-21(26,12-15-24)18-7-2-1-3-8-18/h1-9,26H,10-16H2,(H,23,25)
InChIKeyMNIDPGRXVHXYJX-UHFFFAOYSA-N
XLogP2.82
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

SR1555
CID 71470549
4-(2-(Aminomethyl)phenyl)-1-benzylpiperidin-4-ol
CID 44430036
(4R)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 10601065
2-(3,3-Difluoro-cyclopentyl)-N-[1-(3-fluoro-benzyl)-piperidin-4-yl]-2-hydroxy-2-phenyl-acetamide
CID 10551354
N-(1-Benzyl-piperidin-4-yl)-2-(3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-acetamide
CID 10812455
((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl)methanone
CID 46885323
((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-(4-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885324
((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-(3-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885325
((3S,4R,5R)-4-(3,4-difluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)methanone
CID 46885326
N-[1-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 57889234
N-(1-Benzyl-piperidin-4-yl)-2-cyclopentyl-2-hydroxy-2-phenyl-acetamide
CID 10500741
(2,6-Difluoro-phenyl)-[4-(4-fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-methanone
CID 6487636

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide (CID 91828465) is N-[(2-fluorophenyl)methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide is O=C(CCN1CCC(O)(c2ccccc2)CC1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide?
The InChIKey is MNIDPGRXVHXYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c22-19-9-5-4-6-17(19)16-23-20(25)10-13-24-14-11-21(26,12-15-24)18-7-2-1-3-8-18/h1-9,26H,10-16H2,(H,23,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide?
N-[(2-fluorophenyl)methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide has a molecular weight of 356.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide is sourced from PubChem (CID 91828465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).