N-(2-ethylsulfanylbutyl)-2-(3-methoxycyclohexyl)oxy-N-piperidin-3-ylacetamide

C20H38N2O3S — CID 90227745

IUPACN-(2-ethylsulfanylbutyl)-2-(3-methoxycyclohexyl)oxy-N-piperidin-3-ylacetamide
SMILESCCSC(CC)CN(C(=O)COC1CCCC(OC)C1)C1CCCNC1
InChIInChI=1S/C20H38N2O3S/c1-4-19(26-5-2)14-22(16-8-7-11-21-13-16)20(23)15-25-18-10-6-9-17(12-18)24-3/h16-19,21H,4-15H2,1-3H3
InChIKeyCLYFUGXNPWXEPW-UHFFFAOYSA-N
MW386.60 g/mol
LogP3.07
Rot. Bonds10

About N-(2-ethylsulfanylbutyl)-2-(3-methoxycyclohexyl)oxy-N-piperidin-3-ylacetamide

N-(2-ethylsulfanylbutyl)-2-(3-methoxycyclohexyl)oxy-N-piperidin-3-ylacetamide (PubChem CID 90227745) has the molecular formula C20H38N2O3S and a molecular weight of 386.60 g/mol. Its IUPAC name is N-(2-ethylsulfanylbutyl)-2-(3-methoxycyclohexyl)oxy-N-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylbutyl)-2-(3-methoxycyclohexyl)oxy-N-piperidin-3-ylacetamide
PubChem CID90227745
Molecular FormulaC20H38N2O3S
Molecular Weight386.60 g/mol
Exact Mass386.26
IUPAC NameN-(2-ethylsulfanylbutyl)-2-(3-methoxycyclohexyl)oxy-N-piperidin-3-ylacetamide
SMILESCCSC(CC)CN(C(=O)COC1CCCC(OC)C1)C1CCCNC1
InChIInChI=1S/C20H38N2O3S/c1-4-19(26-5-2)14-22(16-8-7-11-21-13-16)20(23)15-25-18-10-6-9-17(12-18)24-3/h16-19,21H,4-15H2,1-3H3
InChIKeyCLYFUGXNPWXEPW-UHFFFAOYSA-N
XLogP3.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.60
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylbutyl)-2-(3-methoxycyclohexyl)oxy-N-piperidin-3-ylacetamide?
The IUPAC name of N-(2-ethylsulfanylbutyl)-2-(3-methoxycyclohexyl)oxy-N-piperidin-3-ylacetamide (CID 90227745) is N-(2-ethylsulfanylbutyl)-2-(3-methoxycyclohexyl)oxy-N-piperidin-3-ylacetamide.
What is the SMILES notation for N-(2-ethylsulfanylbutyl)-2-(3-methoxycyclohexyl)oxy-N-piperidin-3-ylacetamide?
The canonical SMILES for N-(2-ethylsulfanylbutyl)-2-(3-methoxycyclohexyl)oxy-N-piperidin-3-ylacetamide is CCSC(CC)CN(C(=O)COC1CCCC(OC)C1)C1CCCNC1.
What is the InChIKey of N-(2-ethylsulfanylbutyl)-2-(3-methoxycyclohexyl)oxy-N-piperidin-3-ylacetamide?
The InChIKey is CLYFUGXNPWXEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O3S/c1-4-19(26-5-2)14-22(16-8-7-11-21-13-16)20(23)15-25-18-10-6-9-17(12-18)24-3/h16-19,21H,4-15H2,1-3H3.
What are the key properties of N-(2-ethylsulfanylbutyl)-2-(3-methoxycyclohexyl)oxy-N-piperidin-3-ylacetamide?
N-(2-ethylsulfanylbutyl)-2-(3-methoxycyclohexyl)oxy-N-piperidin-3-ylacetamide has a molecular weight of 386.60 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylbutyl)-2-(3-methoxycyclohexyl)oxy-N-piperidin-3-ylacetamide is sourced from PubChem (CID 90227745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).