N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride

C15H21ClF2N2O — CID 119673275

IUPACN-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc(F)cc1F)C1CCCNC1.Cl
InChIInChI=1S/C15H20F2N2O.ClH/c1-10(11-3-2-6-18-9-11)7-15(20)19-14-5-4-12(16)8-13(14)17;/h4-5,8,10-11,18H,2-3,6-7,9H2,1H3,(H,19,20);1H
InChIKeyVTUNMRSHNWOLGX-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.35
Rot. Bonds4

About N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119673275) has the molecular formula C15H21ClF2N2O and a molecular weight of 318.80 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119673275
Molecular FormulaC15H21ClF2N2O
Molecular Weight318.80 g/mol
Exact Mass318.13
IUPAC NameN-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc(F)cc1F)C1CCCNC1.Cl
InChIInChI=1S/C15H20F2N2O.ClH/c1-10(11-3-2-6-18-9-11)7-15(20)19-14-5-4-12(16)8-13(14)17;/h4-5,8,10-11,18H,2-3,6-7,9H2,1H3,(H,19,20);1H
InChIKeyVTUNMRSHNWOLGX-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-fluoro-2-(4-fluorophenyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119771660
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705041
N-(3-fluoro-4-pyridinyl)-3-piperidin-3-ylbutanamide
CID 107594934
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-3-piperidin-3-ylbutanamide
CID 119778650
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-[1-(2,4-difluorophenyl)butyl]-3-piperidin-3-ylbutanamide
CID 119816121
N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705936
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119709850

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119673275) is N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)Nc1ccc(F)cc1F)C1CCCNC1.Cl.
What is the InChIKey of N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is VTUNMRSHNWOLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O.ClH/c1-10(11-3-2-6-18-9-11)7-15(20)19-14-5-4-12(16)8-13(14)17;/h4-5,8,10-11,18H,2-3,6-7,9H2,1H3,(H,19,20);1H.
What are the key properties of N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 318.80 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119673275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).