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

C19H34N2O2S — CID 140621936

IUPAC2-(3-methylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide
SMILESCC1CCCC(OCC(=O)N(CC2CCCS2)C2CCCNC2)C1
InChIInChI=1S/C19H34N2O2S/c1-15-5-2-7-17(11-15)23-14-19(22)21(13-18-8-4-10-24-18)16-6-3-9-20-12-16/h15-18,20H,2-14H2,1H3
InChIKeyBFVBSIKXFZYIEX-UHFFFAOYSA-N
MW354.56 g/mol
LogP3.06
Rot. Bonds6

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

2-(3-methylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 140621936) has the molecular formula C19H34N2O2S and a molecular weight of 354.56 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide
PubChem CID140621936
Molecular FormulaC19H34N2O2S
Molecular Weight354.56 g/mol
Exact Mass354.23
IUPAC Name2-(3-methylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide
SMILESCC1CCCC(OCC(=O)N(CC2CCCS2)C2CCCNC2)C1
InChIInChI=1S/C19H34N2O2S/c1-15-5-2-7-17(11-15)23-14-19(22)21(13-18-8-4-10-24-18)16-6-3-9-20-12-16/h15-18,20H,2-14H2,1H3
InChIKeyBFVBSIKXFZYIEX-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-methylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide (CID 140621936) is 2-(3-methylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide is CC1CCCC(OCC(=O)N(CC2CCCS2)C2CCCNC2)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is BFVBSIKXFZYIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2S/c1-15-5-2-7-17(11-15)23-14-19(22)21(13-18-8-4-10-24-18)16-6-3-9-20-12-16/h15-18,20H,2-14H2,1H3.
What are the key properties of 2-(3-methylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide?
2-(3-methylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 354.56 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 140621936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).