4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride

C18H26ClFN2O2 — CID 119556045

IUPAC4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
SMILESCC(CC(=O)NCCC1CCCNC1)C(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C18H25FN2O2.ClH/c1-13(18(23)15-5-2-6-16(19)11-15)10-17(22)21-9-7-14-4-3-8-20-12-14;/h2,5-6,11,13-14,20H,3-4,7-10,12H2,1H3,(H,21,22);1H
InChIKeyIRCBSHPUZQXOJZ-UHFFFAOYSA-N
MW356.87 g/mol
LogP2.96
Rot. Bonds7

About 4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride

4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride (PubChem CID 119556045) has the molecular formula C18H26ClFN2O2 and a molecular weight of 356.87 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
PubChem CID119556045
Molecular FormulaC18H26ClFN2O2
Molecular Weight356.87 g/mol
Exact Mass356.17
IUPAC Name4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
SMILESCC(CC(=O)NCCC1CCCNC1)C(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C18H25FN2O2.ClH/c1-13(18(23)15-5-2-6-16(19)11-15)10-17(22)21-9-7-14-4-3-8-20-12-14;/h2,5-6,11,13-14,20H,3-4,7-10,12H2,1H3,(H,21,22);1H
InChIKeyIRCBSHPUZQXOJZ-UHFFFAOYSA-N
XLogP2.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.87
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119556662
2-(3-fluorophenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119556344
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556858
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556859
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide
CID 119464064
3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119461609
3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide
CID 119555918
4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119533848

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride?
The IUPAC name of 4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride (CID 119556045) is 4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride is CC(CC(=O)NCCC1CCCNC1)C(=O)c1cccc(F)c1.Cl.
What is the InChIKey of 4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride?
The InChIKey is IRCBSHPUZQXOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2.ClH/c1-13(18(23)15-5-2-6-16(19)11-15)10-17(22)21-9-7-14-4-3-8-20-12-14;/h2,5-6,11,13-14,20H,3-4,7-10,12H2,1H3,(H,21,22);1H.
What are the key properties of 4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride?
4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride has a molecular weight of 356.87 g/mol, XLogP of 2.96, 7 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-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119556045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).