N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(1-methylpiperidin-4-yl)acetamide

C18H27FN2OS — CID 99969993

IUPACN-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(CC(=O)NCCCSCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2OS/c1-21-10-7-15(8-11-21)13-18(22)20-9-2-12-23-14-16-3-5-17(19)6-4-16/h3-6,15H,2,7-14H2,1H3,(H,20,22)
InChIKeyRIPWGOGPLLRDTJ-UHFFFAOYSA-N
MW338.49 g/mol
LogP3.30
Rot. Bonds8

About N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(1-methylpiperidin-4-yl)acetamide

N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(1-methylpiperidin-4-yl)acetamide (PubChem CID 99969993) has the molecular formula C18H27FN2OS and a molecular weight of 338.49 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(1-methylpiperidin-4-yl)acetamide
PubChem CID99969993
Molecular FormulaC18H27FN2OS
Molecular Weight338.49 g/mol
Exact Mass338.18
IUPAC NameN-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(CC(=O)NCCCSCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2OS/c1-21-10-7-15(8-11-21)13-18(22)20-9-2-12-23-14-16-3-5-17(19)6-4-16/h3-6,15H,2,7-14H2,1H3,(H,20,22)
InChIKeyRIPWGOGPLLRDTJ-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 50875423
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 99969880
N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 99969982
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
N-(3-ethoxypropyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969773
2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxypentyl)acetamide
CID 107299863
N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110852538
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide
CID 72894922
N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 137092381
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]acetamide
CID 30221731
5-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-2-methylpentanoic acid
CID 104681646

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(1-methylpiperidin-4-yl)acetamide (CID 99969993) is N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(1-methylpiperidin-4-yl)acetamide is CN1CCC(CC(=O)NCCCSCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is RIPWGOGPLLRDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2OS/c1-21-10-7-15(8-11-21)13-18(22)20-9-2-12-23-14-16-3-5-17(19)6-4-16/h3-6,15H,2,7-14H2,1H3,(H,20,22).
What are the key properties of N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(1-methylpiperidin-4-yl)acetamide?
N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 338.49 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 99969993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).