2-(4-ethylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide

C20H36N2O2S — CID 140621957

IUPAC2-(4-ethylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide
SMILESCCC1CCC(OCC(=O)N(CC2CCCS2)C2CCCNC2)CC1
InChIInChI=1S/C20H36N2O2S/c1-2-16-7-9-18(10-8-16)24-15-20(23)22(14-19-6-4-12-25-19)17-5-3-11-21-13-17/h16-19,21H,2-15H2,1H3
InChIKeyAWUPGWOYYLBFQC-UHFFFAOYSA-N
MW368.59 g/mol
LogP3.45
Rot. Bonds7

About 2-(4-ethylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide

2-(4-ethylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 140621957) has the molecular formula C20H36N2O2S and a molecular weight of 368.59 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide
PubChem CID140621957
Molecular FormulaC20H36N2O2S
Molecular Weight368.59 g/mol
Exact Mass368.25
IUPAC Name2-(4-ethylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide
SMILESCCC1CCC(OCC(=O)N(CC2CCCS2)C2CCCNC2)CC1
InChIInChI=1S/C20H36N2O2S/c1-2-16-7-9-18(10-8-16)24-15-20(23)22(14-19-6-4-12-25-19)17-5-3-11-21-13-17/h16-19,21H,2-15H2,1H3
InChIKeyAWUPGWOYYLBFQC-UHFFFAOYSA-N
XLogP3.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorocyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide
CID 140621979
2-(3-fluorocyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide
CID 140622070
2-(3-methylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide
CID 140621936
2-(4-methoxycyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide
CID 140621980
N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-(1,3-thiazolidin-2-ylmethyl)acetamide
CID 140621984
N-cyclohexyl-2-(6-methylpiperidin-3-yl)oxy-N-(thiolan-2-ylmethyl)acetamide
CID 140621991
N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
CID 140621993
N-cyclohexyl-2-(4-ethylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
CID 140621995
2-(4-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-3-ylmethyl)acetamide
CID 140622002
2-(3-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide
CID 140622007
N-cyclohexyl-N-[(5-ethylthiolan-2-yl)methyl]-2-(4-methylcyclohexyl)oxyacetamide
CID 140622009
N-(1,3-diazinan-2-yl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
CID 140622010

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-ethylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide (CID 140621957) is 2-(4-ethylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-ethylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-ethylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide is CCC1CCC(OCC(=O)N(CC2CCCS2)C2CCCNC2)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is AWUPGWOYYLBFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2S/c1-2-16-7-9-18(10-8-16)24-15-20(23)22(14-19-6-4-12-25-19)17-5-3-11-21-13-17/h16-19,21H,2-15H2,1H3.
What are the key properties of 2-(4-ethylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide?
2-(4-ethylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 368.59 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 140621957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).