N-[(3-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide

C16H23FN2O2 — CID 110879614

IUPACN-[(3-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1cccc(F)c1)N1CCC(O)CC1
InChIInChI=1S/C16H23FN2O2/c1-12(19-8-6-15(20)7-9-19)16(21)18(2)11-13-4-3-5-14(17)10-13/h3-5,10,12,15,20H,6-9,11H2,1-2H3
InChIKeyVKAMIYLAAFLJPR-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.63
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide

N-[(3-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide (PubChem CID 110879614) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide
PubChem CID110879614
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1cccc(F)c1)N1CCC(O)CC1
InChIInChI=1S/C16H23FN2O2/c1-12(19-8-6-15(20)7-9-19)16(21)18(2)11-13-4-3-5-14(17)10-13/h3-5,10,12,15,20H,6-9,11H2,1-2H3
InChIKeyVKAMIYLAAFLJPR-UHFFFAOYSA-N
XLogP1.63
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-{4-[(4-Fluorophenyl)methyl]piperazin-1-yl}propan-1-one
CID 19323503
1-[4-[(3-Fluorophenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742529
N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 6224194
(2R)-1-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 10759867
N-Ethyl-N-[2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-acetamide
CID 44404544
N,N-Diethyl-2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-acetamide
CID 44404545
(2R)-1-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 10687855
(6R)-1-[2-(3-fluorophenyl)ethyl]-6-(1-hydroxyethyl)piperazine-2,3-dione
CID 16745890
2-[4-(1-Acetylpiperidin-4-yl)-1-(4-methylbenzyl)piperazin-2-yl]ethanol
CID 16190667
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide
CID 24790641
N-[1-(2-fluorobenzyl)-3-piperidinyl]-3-(2-isoxazolidinyl)-N-methylpropanamide
CID 24817570
1-[4-(4-Fluorobenzyl)piperazin-1-yl]-3-methylbutan-1-one
CID 742526

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide (CID 110879614) is N-[(3-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide is CC(C(=O)N(C)Cc1cccc(F)c1)N1CCC(O)CC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide?
The InChIKey is VKAMIYLAAFLJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12(19-8-6-15(20)7-9-19)16(21)18(2)11-13-4-3-5-14(17)10-13/h3-5,10,12,15,20H,6-9,11H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide?
N-[(3-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide has a molecular weight of 294.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(4-hydroxypiperidin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 110879614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).