N-[3-(4-fluorophenyl)sulfanylpropyl]-1-propanoylpiperidine-2-carboxamide

C18H25FN2O2S — CID 55966394

IUPACN-[3-(4-fluorophenyl)sulfanylpropyl]-1-propanoylpiperidine-2-carboxamide
SMILESCCC(=O)N1CCCCC1C(=O)NCCCSc1ccc(F)cc1
InChIInChI=1S/C18H25FN2O2S/c1-2-17(22)21-12-4-3-6-16(21)18(23)20-11-5-13-24-15-9-7-14(19)8-10-15/h7-10,16H,2-6,11-13H2,1H3,(H,20,23)
InChIKeyONZXBLWXPCZPMK-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.22
Rot. Bonds7

About N-[3-(4-fluorophenyl)sulfanylpropyl]-1-propanoylpiperidine-2-carboxamide

N-[3-(4-fluorophenyl)sulfanylpropyl]-1-propanoylpiperidine-2-carboxamide (PubChem CID 55966394) has the molecular formula C18H25FN2O2S and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfanylpropyl]-1-propanoylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfanylpropyl]-1-propanoylpiperidine-2-carboxamide
PubChem CID55966394
Molecular FormulaC18H25FN2O2S
Molecular Weight352.48 g/mol
Exact Mass352.16
IUPAC NameN-[3-(4-fluorophenyl)sulfanylpropyl]-1-propanoylpiperidine-2-carboxamide
SMILESCCC(=O)N1CCCCC1C(=O)NCCCSc1ccc(F)cc1
InChIInChI=1S/C18H25FN2O2S/c1-2-17(22)21-12-4-3-6-16(21)18(23)20-11-5-13-24-15-9-7-14(19)8-10-15/h7-10,16H,2-6,11-13H2,1H3,(H,20,23)
InChIKeyONZXBLWXPCZPMK-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.22
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

1-methyl-N-(3-phenylsulfanylpropyl)azepane-2-carboxamide
CID 72913227
N-[3-(4-fluorophenyl)sulfanylpropyl]pyrrolidine-3-carboxamide
CID 119683976
4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid
CID 119168696
1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide
CID 55717756
methyl 1-[2-(4-fluorophenyl)sulfanylacetyl]pyrrolidine-2-carboxylate
CID 43409959
(2S)-N-(3-phenylprop-2-ynyl)-1-propanoylpiperidine-2-carboxamide
CID 94819073
methyl 1-[N-[3-(4-fluorophenyl)sulfanylpropyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252006
1-(3,4-difluorophenyl)sulfonyl-N-[3-(4-fluorophenyl)sulfanylpropyl]piperidine-4-carboxamide
CID 26635658
1-(benzenesulfonyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]piperidine-3-carboxamide
CID 46438856
N-(3-hydroxy-4-methylpentyl)-1-propanoylpiperidine-2-carboxamide
CID 111461149
N-[3-(4-fluorophenyl)sulfanylpropyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 27802420
N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110894864

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-1-propanoylpiperidine-2-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-1-propanoylpiperidine-2-carboxamide (CID 55966394) is N-[3-(4-fluorophenyl)sulfanylpropyl]-1-propanoylpiperidine-2-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfanylpropyl]-1-propanoylpiperidine-2-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfanylpropyl]-1-propanoylpiperidine-2-carboxamide is CCC(=O)N1CCCCC1C(=O)NCCCSc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfanylpropyl]-1-propanoylpiperidine-2-carboxamide?
The InChIKey is ONZXBLWXPCZPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2S/c1-2-17(22)21-12-4-3-6-16(21)18(23)20-11-5-13-24-15-9-7-14(19)8-10-15/h7-10,16H,2-6,11-13H2,1H3,(H,20,23).
What are the key properties of N-[3-(4-fluorophenyl)sulfanylpropyl]-1-propanoylpiperidine-2-carboxamide?
N-[3-(4-fluorophenyl)sulfanylpropyl]-1-propanoylpiperidine-2-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)sulfanylpropyl]-1-propanoylpiperidine-2-carboxamide is sourced from PubChem (CID 55966394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).