N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide

C20H32N2O3S — CID 45202291

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide
SMILESCOCCN1CCC(CN(CC2CCCO2)C(=O)Cc2cccs2)CC1
InChIInChI=1S/C20H32N2O3S/c1-24-12-10-21-8-6-17(7-9-21)15-22(16-18-4-2-11-25-18)20(23)14-19-5-3-13-26-19/h3,5,13,17-18H,2,4,6-12,14-16H2,1H3
InChIKeyRSPJQIWVFMFXKT-UHFFFAOYSA-N
MW380.55 g/mol
LogP2.66
Rot. Bonds9

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide (PubChem CID 45202291) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide
PubChem CID45202291
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide
SMILESCOCCN1CCC(CN(CC2CCCO2)C(=O)Cc2cccs2)CC1
InChIInChI=1S/C20H32N2O3S/c1-24-12-10-21-8-6-17(7-9-21)15-22(16-18-4-2-11-25-18)20(23)14-19-5-3-13-26-19/h3,5,13,17-18H,2,4,6-12,14-16H2,1H3
InChIKeyRSPJQIWVFMFXKT-UHFFFAOYSA-N
XLogP2.66
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide (CID 45202291) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide is COCCN1CCC(CN(CC2CCCO2)C(=O)Cc2cccs2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide?
The InChIKey is RSPJQIWVFMFXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-24-12-10-21-8-6-17(7-9-21)15-22(16-18-4-2-11-25-18)20(23)14-19-5-3-13-26-19/h3,5,13,17-18H,2,4,6-12,14-16H2,1H3.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide has a molecular weight of 380.55 g/mol, XLogP of 2.66, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 45202291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).