N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride

C15H22ClFN2O — CID 119671066

IUPACN-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1cccc(F)c1)C1CCCNC1.Cl
InChIInChI=1S/C15H21FN2O.ClH/c1-11(12-4-3-7-17-10-12)8-15(19)18-14-6-2-5-13(16)9-14;/h2,5-6,9,11-12,17H,3-4,7-8,10H2,1H3,(H,18,19);1H
InChIKeyUSFIJIBQHXFJCQ-UHFFFAOYSA-N
MW300.80 g/mol
LogP3.21
Rot. Bonds4

About N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119671066) has the molecular formula C15H22ClFN2O and a molecular weight of 300.80 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119671066
Molecular FormulaC15H22ClFN2O
Molecular Weight300.80 g/mol
Exact Mass300.14
IUPAC NameN-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1cccc(F)c1)C1CCCNC1.Cl
InChIInChI=1S/C15H21FN2O.ClH/c1-11(12-4-3-7-17-10-12)8-15(19)18-14-6-2-5-13(16)9-14;/h2,5-6,9,11-12,17H,3-4,7-8,10H2,1H3,(H,18,19);1H
InChIKeyUSFIJIBQHXFJCQ-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743910
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide
CID 119743911
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714898
3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119870552
3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride
CID 119886951
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119709850

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119671066) is N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)Nc1cccc(F)c1)C1CCCNC1.Cl.
What is the InChIKey of N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is USFIJIBQHXFJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O.ClH/c1-11(12-4-3-7-17-10-12)8-15(19)18-14-6-2-5-13(16)9-14;/h2,5-6,9,11-12,17H,3-4,7-8,10H2,1H3,(H,18,19);1H.
What are the key properties of N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 300.80 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119671066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).