N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride

C17H25ClFN3O2 — CID 119705041

IUPACN-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(=O)Nc1ccc(F)c(NC(=O)CC(C)C2CCCNC2)c1.Cl
InChIInChI=1S/C17H24FN3O2.ClH/c1-11(13-4-3-7-19-10-13)8-17(23)21-16-9-14(20-12(2)22)5-6-15(16)18;/h5-6,9,11,13,19H,3-4,7-8,10H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyQMBFEZRGQZACOE-UHFFFAOYSA-N
MW357.86 g/mol
LogP3.17
Rot. Bonds5

About N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119705041) has the molecular formula C17H25ClFN3O2 and a molecular weight of 357.86 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119705041
Molecular FormulaC17H25ClFN3O2
Molecular Weight357.86 g/mol
Exact Mass357.16
IUPAC NameN-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(=O)Nc1ccc(F)c(NC(=O)CC(C)C2CCCNC2)c1.Cl
InChIInChI=1S/C17H24FN3O2.ClH/c1-11(13-4-3-7-19-10-13)8-17(23)21-16-9-14(20-12(2)22)5-6-15(16)18;/h5-6,9,11,13,19H,3-4,7-8,10H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyQMBFEZRGQZACOE-UHFFFAOYSA-N
XLogP3.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide
CID 119723826
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119702961
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119709850
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119798145
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119725834
N-(4-cyclobutyloxy-3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119811125
N-(3-fluoro-4-pyridinyl)-3-piperidin-3-ylbutanamide
CID 107594934
N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119711254
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119705041) is N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride is CC(=O)Nc1ccc(F)c(NC(=O)CC(C)C2CCCNC2)c1.Cl.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is QMBFEZRGQZACOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2.ClH/c1-11(13-4-3-7-19-10-13)8-17(23)21-16-9-14(20-12(2)22)5-6-15(16)18;/h5-6,9,11,13,19H,3-4,7-8,10H2,1-2H3,(H,20,22)(H,21,23);1H.
What are the key properties of N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 357.86 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119705041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).