N-[2-(3-fluorophenyl)propan-2-yl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide

C18H25FN2O3 — CID 84592814

IUPACN-[2-(3-fluorophenyl)propan-2-yl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide
SMILESCC(C)(NC(=O)CCC(=O)N1CCC(O)CC1)c1cccc(F)c1
InChIInChI=1S/C18H25FN2O3/c1-18(2,13-4-3-5-14(19)12-13)20-16(23)6-7-17(24)21-10-8-15(22)9-11-21/h3-5,12,15,22H,6-11H2,1-2H3,(H,20,23)
InChIKeyOUXLDILPXUHWDP-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.94
Rot. Bonds5

About N-[2-(3-fluorophenyl)propan-2-yl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide

N-[2-(3-fluorophenyl)propan-2-yl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide (PubChem CID 84592814) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)propan-2-yl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)propan-2-yl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide
PubChem CID84592814
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC NameN-[2-(3-fluorophenyl)propan-2-yl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide
SMILESCC(C)(NC(=O)CCC(=O)N1CCC(O)CC1)c1cccc(F)c1
InChIInChI=1S/C18H25FN2O3/c1-18(2,13-4-3-5-14(19)12-13)20-16(23)6-7-17(24)21-10-8-15(22)9-11-21/h3-5,12,15,22H,6-11H2,1-2H3,(H,20,23)
InChIKeyOUXLDILPXUHWDP-UHFFFAOYSA-N
XLogP1.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenyl)propan-2-yl]-2-phenylacetamide
CID 12790289
N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide
CID 110490573
[4-[3-(3-fluorophenyl)-3-hydroxybut-1-ynyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 53338939
2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976301
3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide
CID 119951809
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 110822684
2-(3-fluorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119560156
N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110470332
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 92634063
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide
CID 110822279
1-[2-[[2-(3-fluorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236282
N-[(3-chloro-4-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide
CID 75437232

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)propan-2-yl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide?
The IUPAC name of N-[2-(3-fluorophenyl)propan-2-yl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide (CID 84592814) is N-[2-(3-fluorophenyl)propan-2-yl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)propan-2-yl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide?
The canonical SMILES for N-[2-(3-fluorophenyl)propan-2-yl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide is CC(C)(NC(=O)CCC(=O)N1CCC(O)CC1)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)propan-2-yl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide?
The InChIKey is OUXLDILPXUHWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-18(2,13-4-3-5-14(19)12-13)20-16(23)6-7-17(24)21-10-8-15(22)9-11-21/h3-5,12,15,22H,6-11H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(3-fluorophenyl)propan-2-yl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide?
N-[2-(3-fluorophenyl)propan-2-yl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide has a molecular weight of 336.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)propan-2-yl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide is sourced from PubChem (CID 84592814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).