N-(3-cyclohexylsulfanylpropyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide

C24H33FN4O2S — CID 38152792

IUPACN-(3-cyclohexylsulfanylpropyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NCCCSC1CCCCC1)C1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C24H33FN4O2S/c25-20-9-7-18(8-10-20)23-27-22(31-28-23)17-29-14-11-19(12-15-29)24(30)26-13-4-16-32-21-5-2-1-3-6-21/h7-10,19,21H,1-6,11-17H2,(H,26,30)
InChIKeyBDAFLWICOZFSDZ-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.66
Rot. Bonds9

About N-(3-cyclohexylsulfanylpropyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide

N-(3-cyclohexylsulfanylpropyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 38152792) has the molecular formula C24H33FN4O2S and a molecular weight of 460.62 g/mol. Its IUPAC name is N-(3-cyclohexylsulfanylpropyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexylsulfanylpropyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID38152792
Molecular FormulaC24H33FN4O2S
Molecular Weight460.62 g/mol
Exact Mass460.23
IUPAC NameN-(3-cyclohexylsulfanylpropyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NCCCSC1CCCCC1)C1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C24H33FN4O2S/c25-20-9-7-18(8-10-20)23-27-22(31-28-23)17-29-14-11-19(12-15-29)24(30)26-13-4-16-32-21-5-2-1-3-6-21/h7-10,19,21H,1-6,11-17H2,(H,26,30)
InChIKeyBDAFLWICOZFSDZ-UHFFFAOYSA-N
XLogP4.66
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclohexylsulfanylpropyl)piperidine-4-carboxamide
CID 38156424
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-4-carboxamide
CID 38147532
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentylpiperidine-4-carboxamide
CID 38152040
N-(2-cyclohexylsulfanylethyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148740
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 38152244
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 33083933
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38151871
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 38151397
N-[3-(azepan-1-yl)propyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115484
N-[3-(dimethylamino)propyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38142402
N-[3-(dimethylamino)propyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931739
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-3-carboxamide
CID 43931847

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylsulfanylpropyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-cyclohexylsulfanylpropyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (CID 38152792) is N-(3-cyclohexylsulfanylpropyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyclohexylsulfanylpropyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-cyclohexylsulfanylpropyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is O=C(NCCCSC1CCCCC1)C1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1.
What is the InChIKey of N-(3-cyclohexylsulfanylpropyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is BDAFLWICOZFSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN4O2S/c25-20-9-7-18(8-10-20)23-27-22(31-28-23)17-29-14-11-19(12-15-29)24(30)26-13-4-16-32-21-5-2-1-3-6-21/h7-10,19,21H,1-6,11-17H2,(H,26,30).
What are the key properties of N-(3-cyclohexylsulfanylpropyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
N-(3-cyclohexylsulfanylpropyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 460.62 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylsulfanylpropyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 38152792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).