2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide

C17H28N2O2S — CID 49055910

IUPAC2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
SMILESCCOC(CC)C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C17H28N2O2S/c1-3-16(21-4-2)17(20)18-12-14-7-9-19(10-8-14)13-15-6-5-11-22-15/h5-6,11,14,16H,3-4,7-10,12-13H2,1-2H3,(H,18,20)
InChIKeyULHQHEXNPSBBFV-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.89
Rot. Bonds8

About 2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide

2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide (PubChem CID 49055910) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide.

Molecular Properties

Compound Name2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
PubChem CID49055910
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
SMILESCCOC(CC)C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C17H28N2O2S/c1-3-16(21-4-2)17(20)18-12-14-7-9-19(10-8-14)13-15-6-5-11-22-15/h5-6,11,14,16H,3-4,7-10,12-13H2,1-2H3,(H,18,20)
InChIKeyULHQHEXNPSBBFV-UHFFFAOYSA-N
XLogP2.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide?
The IUPAC name of 2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide (CID 49055910) is 2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide.
What is the SMILES notation for 2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide?
The canonical SMILES for 2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide is CCOC(CC)C(=O)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of 2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide?
The InChIKey is ULHQHEXNPSBBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-3-16(21-4-2)17(20)18-12-14-7-9-19(10-8-14)13-15-6-5-11-22-15/h5-6,11,14,16H,3-4,7-10,12-13H2,1-2H3,(H,18,20).
What are the key properties of 2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide?
2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide has a molecular weight of 324.49 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide is sourced from PubChem (CID 49055910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).