2-methoxy-N-(oxan-4-yl)-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]acetamide

C19H28N2O4S — CID 91906165

IUPAC2-methoxy-N-(oxan-4-yl)-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]acetamide
SMILESCOCC(=O)N(C1CCOCC1)C1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C19H28N2O4S/c1-24-13-19(23)21(17-4-9-25-10-5-17)16-2-7-20(8-3-16)18(22)12-15-6-11-26-14-15/h6,11,14,16-17H,2-5,7-10,12-13H2,1H3
InChIKeySRKPCJMTTQZWLT-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.94
Rot. Bonds6

About 2-methoxy-N-(oxan-4-yl)-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]acetamide

2-methoxy-N-(oxan-4-yl)-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]acetamide (PubChem CID 91906165) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-methoxy-N-(oxan-4-yl)-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-(oxan-4-yl)-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]acetamide
PubChem CID91906165
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name2-methoxy-N-(oxan-4-yl)-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]acetamide
SMILESCOCC(=O)N(C1CCOCC1)C1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C19H28N2O4S/c1-24-13-19(23)21(17-4-9-25-10-5-17)16-2-7-20(8-3-16)18(22)12-15-6-11-26-14-15/h6,11,14,16-17H,2-5,7-10,12-13H2,1H3
InChIKeySRKPCJMTTQZWLT-UHFFFAOYSA-N
XLogP1.94
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(oxan-4-yl)-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-methoxy-N-(oxan-4-yl)-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]acetamide (CID 91906165) is 2-methoxy-N-(oxan-4-yl)-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-(oxan-4-yl)-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-methoxy-N-(oxan-4-yl)-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]acetamide is COCC(=O)N(C1CCOCC1)C1CCN(C(=O)Cc2ccsc2)CC1.
What is the InChIKey of 2-methoxy-N-(oxan-4-yl)-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]acetamide?
The InChIKey is SRKPCJMTTQZWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-24-13-19(23)21(17-4-9-25-10-5-17)16-2-7-20(8-3-16)18(22)12-15-6-11-26-14-15/h6,11,14,16-17H,2-5,7-10,12-13H2,1H3.
What are the key properties of 2-methoxy-N-(oxan-4-yl)-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]acetamide?
2-methoxy-N-(oxan-4-yl)-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]acetamide has a molecular weight of 380.51 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(oxan-4-yl)-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 91906165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).