N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride

C16H23ClF2N2OS — CID 119687144

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccccc1SC(F)F)C1CCNCC1.Cl
InChIInChI=1S/C16H22F2N2OS.ClH/c1-11(12-6-8-19-9-7-12)10-15(21)20-13-4-2-3-5-14(13)22-16(17)18;/h2-5,11-12,16,19H,6-10H2,1H3,(H,20,21);1H
InChIKeyFXEYDXBQFNMARQ-UHFFFAOYSA-N
MW364.89 g/mol
LogP4.39
Rot. Bonds6

About N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119687144) has the molecular formula C16H23ClF2N2OS and a molecular weight of 364.89 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119687144
Molecular FormulaC16H23ClF2N2OS
Molecular Weight364.89 g/mol
Exact Mass364.12
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccccc1SC(F)F)C1CCNCC1.Cl
InChIInChI=1S/C16H22F2N2OS.ClH/c1-11(12-6-8-19-9-7-12)10-15(21)20-13-4-2-3-5-14(13)22-16(17)18;/h2-5,11-12,16,19H,6-10H2,1H3,(H,20,21);1H
InChIKeyFXEYDXBQFNMARQ-UHFFFAOYSA-N
XLogP4.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.89
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119814484
N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119399928
N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119669006
N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 122080277
3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119700416
2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide
CID 119684683
N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119752264
N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119757485
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989
N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673449
N-(2-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676039
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
CID 119673990

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119687144) is N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)Nc1ccccc1SC(F)F)C1CCNCC1.Cl.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is FXEYDXBQFNMARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2OS.ClH/c1-11(12-6-8-19-9-7-12)10-15(21)20-13-4-2-3-5-14(13)22-16(17)18;/h2-5,11-12,16,19H,6-10H2,1H3,(H,20,21);1H.
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 364.89 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119687144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).