N-cyclohexyl-2-(5-methylpiperidin-2-yl)oxy-N-(thiolan-2-ylmethyl)acetamide

C19H34N2O2S — CID 140622105

IUPACN-cyclohexyl-2-(5-methylpiperidin-2-yl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESCC1CCC(OCC(=O)N(CC2CCCS2)C2CCCCC2)NC1
InChIInChI=1S/C19H34N2O2S/c1-15-9-10-18(20-12-15)23-14-19(22)21(13-17-8-5-11-24-17)16-6-3-2-4-7-16/h15-18,20H,2-14H2,1H3
InChIKeyWAQPTGUYKPDFNQ-UHFFFAOYSA-N
MW354.56 g/mol
LogP3.41
Rot. Bonds6

About N-cyclohexyl-2-(5-methylpiperidin-2-yl)oxy-N-(thiolan-2-ylmethyl)acetamide

N-cyclohexyl-2-(5-methylpiperidin-2-yl)oxy-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 140622105) has the molecular formula C19H34N2O2S and a molecular weight of 354.56 g/mol. Its IUPAC name is N-cyclohexyl-2-(5-methylpiperidin-2-yl)oxy-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(5-methylpiperidin-2-yl)oxy-N-(thiolan-2-ylmethyl)acetamide
PubChem CID140622105
Molecular FormulaC19H34N2O2S
Molecular Weight354.56 g/mol
Exact Mass354.23
IUPAC NameN-cyclohexyl-2-(5-methylpiperidin-2-yl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESCC1CCC(OCC(=O)N(CC2CCCS2)C2CCCCC2)NC1
InChIInChI=1S/C19H34N2O2S/c1-15-9-10-18(20-12-15)23-14-19(22)21(13-17-8-5-11-24-17)16-6-3-2-4-7-16/h15-18,20H,2-14H2,1H3
InChIKeyWAQPTGUYKPDFNQ-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(5-methylpiperidin-2-yl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(5-methylpiperidin-2-yl)oxy-N-(thiolan-2-ylmethyl)acetamide (CID 140622105) is N-cyclohexyl-2-(5-methylpiperidin-2-yl)oxy-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(5-methylpiperidin-2-yl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(5-methylpiperidin-2-yl)oxy-N-(thiolan-2-ylmethyl)acetamide is CC1CCC(OCC(=O)N(CC2CCCS2)C2CCCCC2)NC1.
What is the InChIKey of N-cyclohexyl-2-(5-methylpiperidin-2-yl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is WAQPTGUYKPDFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2S/c1-15-9-10-18(20-12-15)23-14-19(22)21(13-17-8-5-11-24-17)16-6-3-2-4-7-16/h15-18,20H,2-14H2,1H3.
What are the key properties of N-cyclohexyl-2-(5-methylpiperidin-2-yl)oxy-N-(thiolan-2-ylmethyl)acetamide?
N-cyclohexyl-2-(5-methylpiperidin-2-yl)oxy-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 354.56 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(5-methylpiperidin-2-yl)oxy-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 140622105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).