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

C19H34N2O2S — CID 140622002

IUPAC2-(4-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-3-ylmethyl)acetamide
SMILESCC1CCC(OCC(=O)N(CC2CCSC2)C2CCCCN2)CC1
InChIInChI=1S/C19H34N2O2S/c1-15-5-7-17(8-6-15)23-13-19(22)21(12-16-9-11-24-14-16)18-4-2-3-10-20-18/h15-18,20H,2-14H2,1H3
InChIKeyMOHPBASVSLPWPJ-UHFFFAOYSA-N
MW354.56 g/mol
LogP3.26
Rot. Bonds6

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

2-(4-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-3-ylmethyl)acetamide (PubChem CID 140622002) has the molecular formula C19H34N2O2S and a molecular weight of 354.56 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-3-ylmethyl)acetamide
PubChem CID140622002
Molecular FormulaC19H34N2O2S
Molecular Weight354.56 g/mol
Exact Mass354.23
IUPAC Name2-(4-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-3-ylmethyl)acetamide
SMILESCC1CCC(OCC(=O)N(CC2CCSC2)C2CCCCN2)CC1
InChIInChI=1S/C19H34N2O2S/c1-15-5-7-17(8-6-15)23-13-19(22)21(12-16-9-11-24-14-16)18-4-2-3-10-20-18/h15-18,20H,2-14H2,1H3
InChIKeyMOHPBASVSLPWPJ-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-3-ylmethyl)acetamide (CID 140622002) is 2-(4-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-3-ylmethyl)acetamide is CC1CCC(OCC(=O)N(CC2CCSC2)C2CCCCN2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-3-ylmethyl)acetamide?
The InChIKey is MOHPBASVSLPWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2S/c1-15-5-7-17(8-6-15)23-13-19(22)21(12-16-9-11-24-14-16)18-4-2-3-10-20-18/h15-18,20H,2-14H2,1H3.
What are the key properties of 2-(4-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-3-ylmethyl)acetamide?
2-(4-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-3-ylmethyl)acetamide has a molecular weight of 354.56 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-3-ylmethyl)acetamide is sourced from PubChem (CID 140622002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).