N-methyl-2-piperidin-4-yloxy-N-(thiolan-3-yl)acetamide

C12H22N2O2S — CID 63876879

IUPACN-methyl-2-piperidin-4-yloxy-N-(thiolan-3-yl)acetamide
SMILESCN(C(=O)COC1CCNCC1)C1CCSC1
InChIInChI=1S/C12H22N2O2S/c1-14(10-4-7-17-9-10)12(15)8-16-11-2-5-13-6-3-11/h10-11,13H,2-9H2,1H3
InChIKeyQPMDOKWGXCPTEC-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.72
Rot. Bonds4

About N-methyl-2-piperidin-4-yloxy-N-(thiolan-3-yl)acetamide

N-methyl-2-piperidin-4-yloxy-N-(thiolan-3-yl)acetamide (PubChem CID 63876879) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-methyl-2-piperidin-4-yloxy-N-(thiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-piperidin-4-yloxy-N-(thiolan-3-yl)acetamide
PubChem CID63876879
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-methyl-2-piperidin-4-yloxy-N-(thiolan-3-yl)acetamide
SMILESCN(C(=O)COC1CCNCC1)C1CCSC1
InChIInChI=1S/C12H22N2O2S/c1-14(10-4-7-17-9-10)12(15)8-16-11-2-5-13-6-3-11/h10-11,13H,2-9H2,1H3
InChIKeyQPMDOKWGXCPTEC-UHFFFAOYSA-N
XLogP0.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperidin-4-yloxy-N-(thiolan-3-yl)acetamide?
The IUPAC name of N-methyl-2-piperidin-4-yloxy-N-(thiolan-3-yl)acetamide (CID 63876879) is N-methyl-2-piperidin-4-yloxy-N-(thiolan-3-yl)acetamide.
What is the SMILES notation for N-methyl-2-piperidin-4-yloxy-N-(thiolan-3-yl)acetamide?
The canonical SMILES for N-methyl-2-piperidin-4-yloxy-N-(thiolan-3-yl)acetamide is CN(C(=O)COC1CCNCC1)C1CCSC1.
What is the InChIKey of N-methyl-2-piperidin-4-yloxy-N-(thiolan-3-yl)acetamide?
The InChIKey is QPMDOKWGXCPTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-14(10-4-7-17-9-10)12(15)8-16-11-2-5-13-6-3-11/h10-11,13H,2-9H2,1H3.
What are the key properties of N-methyl-2-piperidin-4-yloxy-N-(thiolan-3-yl)acetamide?
N-methyl-2-piperidin-4-yloxy-N-(thiolan-3-yl)acetamide has a molecular weight of 258.39 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperidin-4-yloxy-N-(thiolan-3-yl)acetamide is sourced from PubChem (CID 63876879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).