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

C19H34N2O2S — CID 140622007

IUPAC2-(3-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide
SMILESCC1CCCC(OCC(=O)N(CC2CCCS2)C2CCCCN2)C1
InChIInChI=1S/C19H34N2O2S/c1-15-6-4-7-16(12-15)23-14-19(22)21(13-17-8-5-11-24-17)18-9-2-3-10-20-18/h15-18,20H,2-14H2,1H3
InChIKeyHFASLAIRGNANCD-UHFFFAOYSA-N
MW354.56 g/mol
LogP3.41
Rot. Bonds6

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

2-(3-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 140622007) has the molecular formula C19H34N2O2S and a molecular weight of 354.56 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide
PubChem CID140622007
Molecular FormulaC19H34N2O2S
Molecular Weight354.56 g/mol
Exact Mass354.23
IUPAC Name2-(3-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide
SMILESCC1CCCC(OCC(=O)N(CC2CCCS2)C2CCCCN2)C1
InChIInChI=1S/C19H34N2O2S/c1-15-6-4-7-16(12-15)23-14-19(22)21(13-17-8-5-11-24-17)18-9-2-3-10-20-18/h15-18,20H,2-14H2,1H3
InChIKeyHFASLAIRGNANCD-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide (CID 140622007) is 2-(3-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide is CC1CCCC(OCC(=O)N(CC2CCCS2)C2CCCCN2)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is HFASLAIRGNANCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2S/c1-15-6-4-7-16(12-15)23-14-19(22)21(13-17-8-5-11-24-17)18-9-2-3-10-20-18/h15-18,20H,2-14H2,1H3.
What are the key properties of 2-(3-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide?
2-(3-methylcyclohexyl)oxy-N-piperidin-2-yl-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 2-(3-methylcyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 140622007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).