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

C17H26ClFN2O — CID 119556662

IUPAC3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
SMILESCC(CC(=O)NCCC1CCCNC1)c1cccc(F)c1.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-13(15-5-2-6-16(18)11-15)10-17(21)20-9-7-14-4-3-8-19-12-14;/h2,5-6,11,13-14,19H,3-4,7-10,12H2,1H3,(H,20,21);1H
InChIKeyPHEZDAUQEXUNPS-UHFFFAOYSA-N
MW328.86 g/mol
LogP3.25
Rot. Bonds6

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

3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride (PubChem CID 119556662) has the molecular formula C17H26ClFN2O and a molecular weight of 328.86 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
PubChem CID119556662
Molecular FormulaC17H26ClFN2O
Molecular Weight328.86 g/mol
Exact Mass328.17
IUPAC Name3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
SMILESCC(CC(=O)NCCC1CCCNC1)c1cccc(F)c1.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-13(15-5-2-6-16(18)11-15)10-17(21)20-9-7-14-4-3-8-19-12-14;/h2,5-6,11,13-14,19H,3-4,7-10,12H2,1H3,(H,20,21);1H
InChIKeyPHEZDAUQEXUNPS-UHFFFAOYSA-N
XLogP3.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119461609
4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119556045
N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119557662
2-(3-fluorophenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119556344
2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119460284
3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide
CID 119555918
4,4,4-trifluoro-3-phenyl-N-(2-piperidin-3-ylethyl)butanamide
CID 119557143
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556858
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556859
4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
CID 119533754
3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide
CID 119501543

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride?
The IUPAC name of 3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride (CID 119556662) is 3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride is CC(CC(=O)NCCC1CCCNC1)c1cccc(F)c1.Cl.
What is the InChIKey of 3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride?
The InChIKey is PHEZDAUQEXUNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O.ClH/c1-13(15-5-2-6-16(18)11-15)10-17(21)20-9-7-14-4-3-8-19-12-14;/h2,5-6,11,13-14,19H,3-4,7-10,12H2,1H3,(H,20,21);1H.
What are the key properties of 3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride?
3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride has a molecular weight of 328.86 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119556662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).