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

C24H34N4O3S — CID 38148740

IUPACN-(2-cyclohexylsulfanylethyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCC(C(=O)NCCSC4CCCCC4)CC3)n2)cc1
InChIInChI=1S/C24H34N4O3S/c1-30-20-9-7-18(8-10-20)23-26-22(31-27-23)17-28-14-11-19(12-15-28)24(29)25-13-16-32-21-5-3-2-4-6-21/h7-10,19,21H,2-6,11-17H2,1H3,(H,25,29)
InChIKeyYBJFJJKGMHSJPX-UHFFFAOYSA-N
MW458.63 g/mol
LogP4.14
Rot. Bonds9

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

N-(2-cyclohexylsulfanylethyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 38148740) has the molecular formula C24H34N4O3S and a molecular weight of 458.63 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID38148740
Molecular FormulaC24H34N4O3S
Molecular Weight458.63 g/mol
Exact Mass458.24
IUPAC NameN-(2-cyclohexylsulfanylethyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCC(C(=O)NCCSC4CCCCC4)CC3)n2)cc1
InChIInChI=1S/C24H34N4O3S/c1-30-20-9-7-18(8-10-20)23-26-22(31-27-23)17-28-14-11-19(12-15-28)24(29)25-13-16-32-21-5-3-2-4-6-21/h7-10,19,21H,2-6,11-17H2,1H3,(H,25,29)
InChIKeyYBJFJJKGMHSJPX-UHFFFAOYSA-N
XLogP4.14
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.63
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-4-carboxamide
CID 38147532
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide
CID 38148507
N-(3-cyclohexylsulfanylpropyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38152792
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 38149233
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542228
N-cyclopropyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148646
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 38147816
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 38149414
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclohexylsulfanylpropyl)piperidine-4-carboxamide
CID 38156424
N-[3-(furan-2-ylmethylsulfanyl)propyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38149637
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 957363
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 38150116

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfanylethyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (CID 38148740) is N-(2-cyclohexylsulfanylethyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is COc1ccc(-c2noc(CN3CCC(C(=O)NCCSC4CCCCC4)CC3)n2)cc1.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is YBJFJJKGMHSJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3S/c1-30-20-9-7-18(8-10-20)23-26-22(31-27-23)17-28-14-11-19(12-15-28)24(29)25-13-16-32-21-5-3-2-4-6-21/h7-10,19,21H,2-6,11-17H2,1H3,(H,25,29).
What are the key properties of N-(2-cyclohexylsulfanylethyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
N-(2-cyclohexylsulfanylethyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 458.63 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfanylethyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 38148740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).