4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride

C17H24ClFN2O2 — CID 120600948

IUPAC4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
SMILESCC1CC(NC(=O)CC(C)C(=O)c2cccc(F)c2)CCN1.Cl
InChIInChI=1S/C17H23FN2O2.ClH/c1-11(17(22)13-4-3-5-14(18)10-13)8-16(21)20-15-6-7-19-12(2)9-15;/h3-5,10-12,15,19H,6-9H2,1-2H3,(H,20,21);1H
InChIKeyJPJXQWZJOGVYHJ-UHFFFAOYSA-N
MW342.84 g/mol
LogP2.71
Rot. Bonds5

About 4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride

4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride (PubChem CID 120600948) has the molecular formula C17H24ClFN2O2 and a molecular weight of 342.84 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
PubChem CID120600948
Molecular FormulaC17H24ClFN2O2
Molecular Weight342.84 g/mol
Exact Mass342.15
IUPAC Name4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
SMILESCC1CC(NC(=O)CC(C)C(=O)c2cccc(F)c2)CCN1.Cl
InChIInChI=1S/C17H23FN2O2.ClH/c1-11(17(22)13-4-3-5-14(18)10-13)8-16(21)20-15-6-7-19-12(2)9-15;/h3-5,10-12,15,19H,6-9H2,1-2H3,(H,20,21);1H
InChIKeyJPJXQWZJOGVYHJ-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601784
4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide
CID 120600804
N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide
CID 120598997
4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119556045
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
2-[[4-(3-fluorophenyl)-3-methyl-4-oxobutanoyl]amino]acetic acid
CID 119350223
2-(2-chloro-4-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide
CID 120602502
4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 120832487
N-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride
CID 119626886
2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 106995199
3-methyl-N-(2-methylpiperidin-4-yl)hexanamide
CID 120598747
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide
CID 120598618

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride?
The IUPAC name of 4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride (CID 120600948) is 4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for 4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for 4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride is CC1CC(NC(=O)CC(C)C(=O)c2cccc(F)c2)CCN1.Cl.
What is the InChIKey of 4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride?
The InChIKey is JPJXQWZJOGVYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2.ClH/c1-11(17(22)13-4-3-5-14(18)10-13)8-16(21)20-15-6-7-19-12(2)9-15;/h3-5,10-12,15,19H,6-9H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride?
4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride has a molecular weight of 342.84 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 120600948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).