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

C22H32N4O2S2 — CID 43935234

IUPACN-(3-cyclohexylsulfanylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCCCSC1CCCCC1)C1CCCN(Cc2nc(-c3cccs3)no2)C1
InChIInChI=1S/C22H32N4O2S2/c27-22(23-11-6-14-29-18-8-2-1-3-9-18)17-7-4-12-26(15-17)16-20-24-21(25-28-20)19-10-5-13-30-19/h5,10,13,17-18H,1-4,6-9,11-12,14-16H2,(H,23,27)
InChIKeyHOZCTUJOZYAXDI-UHFFFAOYSA-N
MW448.66 g/mol
LogP4.58
Rot. Bonds9

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

N-(3-cyclohexylsulfanylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 43935234) has the molecular formula C22H32N4O2S2 and a molecular weight of 448.66 g/mol. Its IUPAC name is N-(3-cyclohexylsulfanylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexylsulfanylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID43935234
Molecular FormulaC22H32N4O2S2
Molecular Weight448.66 g/mol
Exact Mass448.20
IUPAC NameN-(3-cyclohexylsulfanylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCCCSC1CCCCC1)C1CCCN(Cc2nc(-c3cccs3)no2)C1
InChIInChI=1S/C22H32N4O2S2/c27-22(23-11-6-14-29-18-8-2-1-3-9-18)17-7-4-12-26(15-17)16-20-24-21(25-28-20)19-10-5-13-30-19/h5,10,13,17-18H,1-4,6-9,11-12,14-16H2,(H,23,27)
InChIKeyHOZCTUJOZYAXDI-UHFFFAOYSA-N
XLogP4.58
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.66
LogP ≤ 54.58
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

N-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935177
N-(3-phenylsulfanylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935231
N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935240
N-[3-(4-methylpiperidin-1-yl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935179
N-(2-phenylsulfanylethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934961
N-[3-(4-methylphenyl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935160
N-cyclohexyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934907
N-cyclopentyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934906
N-(pyridin-4-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934995
N-propan-2-yl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934901
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935015
(3S)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 52907829

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylsulfanylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-cyclohexylsulfanylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 43935234) is N-(3-cyclohexylsulfanylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-cyclohexylsulfanylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-cyclohexylsulfanylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is O=C(NCCCSC1CCCCC1)C1CCCN(Cc2nc(-c3cccs3)no2)C1.
What is the InChIKey of N-(3-cyclohexylsulfanylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is HOZCTUJOZYAXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2S2/c27-22(23-11-6-14-29-18-8-2-1-3-9-18)17-7-4-12-26(15-17)16-20-24-21(25-28-20)19-10-5-13-30-19/h5,10,13,17-18H,1-4,6-9,11-12,14-16H2,(H,23,27).
What are the key properties of N-(3-cyclohexylsulfanylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
N-(3-cyclohexylsulfanylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 448.66 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylsulfanylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43935234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).